Basic information
- CAS
61843-02-5- Standard SMILES
CC(C)c1cccc(C(N)=O)c1- InChIKey
BDAQGUZTTPIATR-UHFFFAOYSA-N- Molecular formula
- C10H13NO
- Average molar mass
- 163.22 g/mol
- Monoisotopic mass
- 163.09971404
Names & identifiers
- Preferred name
- 3-(Propan-2-yl)benzamide
- IUPAC
- 3-propan-2-ylbenzamide
- English name
- Benzamide, 3-(1-methylethyl)- (9CI)
- Molecular formula
- C10H13NO
- Molecular weight
- 163.22
Names & synonyms
Benzamide, 3-(1-methylethyl)-61843-02-53-ISOPROPYLBENZAMIDE3-(propan-2-yl)benzamideNSC-86582m-Isopropylbenzamide3-CarbamoylcumeneNSC865823-isopropyl-benzamideNCIOpen2_001025SCHEMBL84456472MCB7D4A
Show more names
Benzamide, 3-(1-methylethyl)- (9CI)
SCHEMBL4052625BENZAMIDE, M-ISOPROPYL-SCHEMBL16954010SCHEMBL16957973SCHEMBL16957975SCHEMBL30154821DTXSID20292960BDAQGUZTTPIATR-UHFFFAOYSA-N
Database identifiers
- CAS
61843-02-5- PubChem CID
- 257954
- DTXSID
DTXSID20292960- UNII
- 472MCB7D4A
- Nikkaji
- J1.398.726B
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 43.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 165
Chemistry & industry
Suppliers2 total
菏泽星达医药科技有限公司13583079096 · [email protected]
山东煜昌药业有限公司531-87153728 13805401165 · [email protected]
Related reactions
2 records
Compound notes
Loading…