Basic information
- CAS
5215-30-5- Standard SMILES
C=CCOC12Oc3ccc(Oc4ccc5ccccc5c4)cc3C3C(CCCCO)C(CCCCO)C=C(C(=NOC)CC1N(Cc1ccc4c(c1)OCO4)C(=O)c1ccc(C#N)cc1)C32- InChIKey
LRCWEHWRBJFSNT-UHFFFAOYSA-N- Molecular formula
- C54H55N3O9
- Average molar mass
- 890 g/mol
- Monoisotopic mass
- 889.39383034
Names & identifiers
- Preferred name
- N-(1,3-Benzodioxol-5-ylmethyl)-N-[15,16-bis(4-hydroxybutyl)-12-methoxyimino-4-naphthalen-2-yloxy-9-prop-2-enoxy-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-2(7),3,5,13-tetraen-10-yl]-4-cyanobenzamide
- IUPAC
- N-(1,3-benzodioxol-5-ylmethyl)-N-[15,16-bis(4-hydroxybutyl)-12-methoxyimino-4-naphthalen-2-yloxy-9-prop-2-enoxy-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-2(7),3,5,13-tetraen-10-yl]-4-cyanobenzamide
- English name
- N-(3-Fluorophenyl)-4-MethylbenzaMide, 97%
- Molecular formula
- C14H12FNO
- Molecular weight
- 229.25
Names & synonyms
N-(1,3-Benzodioxol-5-ylmethyl)-N-[15,16-bis(4-hydroxybutyl)-12-methoxyimino-4-naphthalen-2-yloxy-9-prop-2-enoxy-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-2(7),3,5,13-tetraen-10-yl]-4-cyanobenzamideAGN-PC-0LOMHODTXSID90410679N-[(2H-1,3-Benzodioxol-5-yl)methyl]-N-{1,2-bis(4-hydroxybutyl)-4-(methoxyimino)-10-[(naphthalen-2-yl)oxy]-6a-[(prop-2-en-1-yl)oxy]-1,2,4,5,6,6a,11b,11c-octahydrobenzo[kl]xanthen-6-yl}-4-cyanobenzamideN-(3-fluorophenyl)-4-methylbenzamideBenzamide, N-(3-fluorophenyl)-4-methyl-N-(3-Fluorophenyl)-4-MethylbenzaMide, 97%
Database identifiers
- CAS
5215-30-5- PubChem CID
- 5216619
- DTXSID
DTXSID90410679
Properties
Computed structural properties
- XLogP
- 9.1
- Topological polar surface area
- 152 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 18
- Heavy atoms
- 66
- Formal charge
- 0
- Complexity
- 1,740
Chemistry & industry
Suppliers4 total
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
郑州康弗辰医药科技有限公司18210788515; 18210788515 · [email protected]
广州市金华大化学试剂有限公司020-84383047 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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