3-amino-N-[(3-bromo-4-methoxyphenyl)methyl]cyclopentane-1-carboxamide

C14H19BrN2O2 — CID 119767075

IUPAC3-amino-N-[(3-bromo-4-methoxyphenyl)methyl]cyclopentane-1-carboxamide
SMILESCOc1ccc(CNC(=O)C2CCC(N)C2)cc1Br
InChIInChI=1S/C14H19BrN2O2/c1-19-13-5-2-9(6-12(13)15)8-17-14(18)10-3-4-11(16)7-10/h2,5-6,10-11H,3-4,7-8,16H2,1H3,(H,17,18)
InChIKeyIFTQHLFNCQADNT-UHFFFAOYSA-N
MW327.22 g/mol
LogP2.20
Rot. Bonds4

About 3-amino-N-[(3-bromo-4-methoxyphenyl)methyl]cyclopentane-1-carboxamide

3-amino-N-[(3-bromo-4-methoxyphenyl)methyl]cyclopentane-1-carboxamide (PubChem CID 119767075) has the molecular formula C14H19BrN2O2 and a molecular weight of 327.22 g/mol. Its IUPAC name is 3-amino-N-[(3-bromo-4-methoxyphenyl)methyl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name3-amino-N-[(3-bromo-4-methoxyphenyl)methyl]cyclopentane-1-carboxamide
PubChem CID119767075
Molecular FormulaC14H19BrN2O2
Molecular Weight327.22 g/mol
Exact Mass326.06
IUPAC Name3-amino-N-[(3-bromo-4-methoxyphenyl)methyl]cyclopentane-1-carboxamide
SMILESCOc1ccc(CNC(=O)C2CCC(N)C2)cc1Br
InChIInChI=1S/C14H19BrN2O2/c1-19-13-5-2-9(6-12(13)15)8-17-14(18)10-3-4-11(16)7-10/h2,5-6,10-11H,3-4,7-8,16H2,1H3,(H,17,18)
InChIKeyIFTQHLFNCQADNT-UHFFFAOYSA-N
XLogP2.20
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.22
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-aminocyclopentyl)-2-(3-bromo-4-methoxyphenyl)ethanone
CID 116587325
3-amino-N-[(4-bromophenyl)methyl]cyclopentane-1-carboxamide
CID 66030877
3-amino-N-[(4-bromophenyl)methyl]cyclopentane-1-carboxamide;hydrochloride
CID 119702505
3-amino-N-[[4-(4-methoxyphenyl)phenyl]methyl]cyclopentane-1-carboxamide
CID 119805976
N-[(3-amino-4-methoxyphenyl)methyl]cyclopropanecarboxamide
CID 60972239
3-amino-N-[(4-methylphenyl)methyl]cyclopentane-1-carboxamide
CID 66033053
3-amino-N-[(3,4-difluorophenyl)methyl]cyclopentane-1-carboxamide
CID 66009834
3-amino-N-[2-(3-fluoro-4-methoxyphenyl)ethyl]cyclopentane-1-carboxamide
CID 119774826
3-amino-N-[(4-fluoro-3-methylphenyl)methyl]cyclopentane-1-carboxamide
CID 119698450
N-[(3-bromo-4-methoxyphenyl)methyl]propanamide
CID 110780657
3-amino-N-[(4-bromophenyl)methyl]cyclohexane-1-carboxamide
CID 63041803
3-amino-N-[2-(3-methoxy-4-methylphenyl)ethyl]cyclopentane-1-carboxamide;hydrochloride
CID 119788200

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(3-bromo-4-methoxyphenyl)methyl]cyclopentane-1-carboxamide?
The IUPAC name of 3-amino-N-[(3-bromo-4-methoxyphenyl)methyl]cyclopentane-1-carboxamide (CID 119767075) is 3-amino-N-[(3-bromo-4-methoxyphenyl)methyl]cyclopentane-1-carboxamide.
What is the SMILES notation for 3-amino-N-[(3-bromo-4-methoxyphenyl)methyl]cyclopentane-1-carboxamide?
The canonical SMILES for 3-amino-N-[(3-bromo-4-methoxyphenyl)methyl]cyclopentane-1-carboxamide is COc1ccc(CNC(=O)C2CCC(N)C2)cc1Br.
What is the InChIKey of 3-amino-N-[(3-bromo-4-methoxyphenyl)methyl]cyclopentane-1-carboxamide?
The InChIKey is IFTQHLFNCQADNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN2O2/c1-19-13-5-2-9(6-12(13)15)8-17-14(18)10-3-4-11(16)7-10/h2,5-6,10-11H,3-4,7-8,16H2,1H3,(H,17,18).
What are the key properties of 3-amino-N-[(3-bromo-4-methoxyphenyl)methyl]cyclopentane-1-carboxamide?
3-amino-N-[(3-bromo-4-methoxyphenyl)methyl]cyclopentane-1-carboxamide has a molecular weight of 327.22 g/mol, XLogP of 2.20, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(3-bromo-4-methoxyphenyl)methyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 119767075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).