Methyl 4-(N-cyclopentylamino)-3-iodobenzoate

HCID 21974264CAS 733035-28-4
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Basic information

Standard SMILES
COC(=O)c1ccc(NC2CCCC2)c(I)c1
InChIKey
MFAGVOGLVLEHPC-UHFFFAOYSA-N
Molecular formula
C13H16INO2
Average molar mass
345.18 g/mol
Monoisotopic mass
345.02257675

Names & identifiers

Preferred name
Methyl 4-(N-cyclopentylamino)-3-iodobenzoate
IUPAC
methyl 4-(cyclopentylamino)-3-iodobenzoate

Names & synonyms

Methyl 4-(N-cyclopentylamino)-3-iodobenzoateSCHEMBL3742643MFAGVOGLVLEHPC-UHFFFAOYSA-NDTXSID101265961733035-28-4methyl 4-(cyclopentylamino)-3-iodobenzoate

Database identifiers

CAS
733035-28-4
PubChem CID
21974264
DTXSID
DTXSID101265961

Properties

Computed structural properties

XLogP
3.7
Topological polar surface area
38.3 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
4
Heavy atoms
17

Related reactions

7 records
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Linked notes

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