N-[1-(aminomethyl)cyclopentyl]-3-bromo-4-methoxybenzamide

C14H19BrN2O2 — CID 63889365

IUPACN-[1-(aminomethyl)cyclopentyl]-3-bromo-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NC2(CN)CCCC2)cc1Br
InChIInChI=1S/C14H19BrN2O2/c1-19-12-5-4-10(8-11(12)15)13(18)17-14(9-16)6-2-3-7-14/h4-5,8H,2-3,6-7,9,16H2,1H3,(H,17,18)
InChIKeyIXUKMVFDROIVHX-UHFFFAOYSA-N
MW327.22 g/mol
LogP2.46
Rot. Bonds4

About N-[1-(aminomethyl)cyclopentyl]-3-bromo-4-methoxybenzamide

N-[1-(aminomethyl)cyclopentyl]-3-bromo-4-methoxybenzamide (PubChem CID 63889365) has the molecular formula C14H19BrN2O2 and a molecular weight of 327.22 g/mol. Its IUPAC name is N-[1-(aminomethyl)cyclopentyl]-3-bromo-4-methoxybenzamide.

Molecular Properties

Compound NameN-[1-(aminomethyl)cyclopentyl]-3-bromo-4-methoxybenzamide
PubChem CID63889365
Molecular FormulaC14H19BrN2O2
Molecular Weight327.22 g/mol
Exact Mass326.06
IUPAC NameN-[1-(aminomethyl)cyclopentyl]-3-bromo-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NC2(CN)CCCC2)cc1Br
InChIInChI=1S/C14H19BrN2O2/c1-19-12-5-4-10(8-11(12)15)13(18)17-14(9-16)6-2-3-7-14/h4-5,8H,2-3,6-7,9,16H2,1H3,(H,17,18)
InChIKeyIXUKMVFDROIVHX-UHFFFAOYSA-N
XLogP2.46
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 ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-[(3-bromo-4-methoxybenzoyl)amino]cyclobutyl]acetic acid
CID 79848463
3-bromo-N-[1-(bromomethyl)-3-methylcyclohexyl]-4-methoxybenzamide
CID 114314711
3-bromo-4-methoxy-N-(1-methylcyclobutyl)benzamide
CID 115766099
N-[1-(aminomethyl)cyclopentyl]-3,5-dimethoxy-4-methylbenzamide
CID 119568346
N-[1-(aminomethyl)cyclopentyl]-4-methoxybenzamide;hydrochloride
CID 119566284
N-[1-(aminomethyl)cyclopentyl]-2,6-dimethoxybenzamide
CID 63755237
N-[(1-aminocyclohexyl)methyl]-3-bromo-4-methoxybenzamide;hydrochloride
CID 119404702
N-[1-(aminomethyl)cyclopentyl]-4-bromo-3-fluorobenzamide;hydrochloride
CID 119565325
3-bromo-N-[(1-ethylcyclobutyl)methyl]-4-methoxybenzamide
CID 103741367
N-[1-(bromomethyl)cyclohexyl]-3-hydroxy-4-methoxybenzamide
CID 114314007
3-bromo-N-[2-[(3-bromo-4-methoxybenzoyl)amino]ethyl]-4-methoxybenzamide
CID 5120217
N-[1-(aminomethyl)cyclopentyl]-4-hydroxy-3-methylbenzamide
CID 107672060

Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)cyclopentyl]-3-bromo-4-methoxybenzamide?
The IUPAC name of N-[1-(aminomethyl)cyclopentyl]-3-bromo-4-methoxybenzamide (CID 63889365) is N-[1-(aminomethyl)cyclopentyl]-3-bromo-4-methoxybenzamide.
What is the SMILES notation for N-[1-(aminomethyl)cyclopentyl]-3-bromo-4-methoxybenzamide?
The canonical SMILES for N-[1-(aminomethyl)cyclopentyl]-3-bromo-4-methoxybenzamide is COc1ccc(C(=O)NC2(CN)CCCC2)cc1Br.
What is the InChIKey of N-[1-(aminomethyl)cyclopentyl]-3-bromo-4-methoxybenzamide?
The InChIKey is IXUKMVFDROIVHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN2O2/c1-19-12-5-4-10(8-11(12)15)13(18)17-14(9-16)6-2-3-7-14/h4-5,8H,2-3,6-7,9,16H2,1H3,(H,17,18).
What are the key properties of N-[1-(aminomethyl)cyclopentyl]-3-bromo-4-methoxybenzamide?
N-[1-(aminomethyl)cyclopentyl]-3-bromo-4-methoxybenzamide has a molecular weight of 327.22 g/mol, XLogP of 2.46, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(aminomethyl)cyclopentyl]-3-bromo-4-methoxybenzamide is sourced from PubChem (CID 63889365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).