N-[2-(aminomethyl)cyclopentyl]-4-bromo-3,5-dimethoxybenzamide

C15H21BrN2O3 — CID 119600547

IUPACN-[2-(aminomethyl)cyclopentyl]-4-bromo-3,5-dimethoxybenzamide
SMILESCOc1cc(C(=O)NC2CCCC2CN)cc(OC)c1Br
InChIInChI=1S/C15H21BrN2O3/c1-20-12-6-10(7-13(21-2)14(12)16)15(19)18-11-5-3-4-9(11)8-17/h6-7,9,11H,3-5,8,17H2,1-2H3,(H,18,19)
InChIKeyNVTWIHNCGQWODC-UHFFFAOYSA-N
MW357.25 g/mol
LogP2.32
Rot. Bonds5

About N-[2-(aminomethyl)cyclopentyl]-4-bromo-3,5-dimethoxybenzamide

N-[2-(aminomethyl)cyclopentyl]-4-bromo-3,5-dimethoxybenzamide (PubChem CID 119600547) has the molecular formula C15H21BrN2O3 and a molecular weight of 357.25 g/mol. Its IUPAC name is N-[2-(aminomethyl)cyclopentyl]-4-bromo-3,5-dimethoxybenzamide.

Molecular Properties

Compound NameN-[2-(aminomethyl)cyclopentyl]-4-bromo-3,5-dimethoxybenzamide
PubChem CID119600547
Molecular FormulaC15H21BrN2O3
Molecular Weight357.25 g/mol
Exact Mass356.07
IUPAC NameN-[2-(aminomethyl)cyclopentyl]-4-bromo-3,5-dimethoxybenzamide
SMILESCOc1cc(C(=O)NC2CCCC2CN)cc(OC)c1Br
InChIInChI=1S/C15H21BrN2O3/c1-20-12-6-10(7-13(21-2)14(12)16)15(19)18-11-5-3-4-9(11)8-17/h6-7,9,11H,3-5,8,17H2,1-2H3,(H,18,19)
InChIKeyNVTWIHNCGQWODC-UHFFFAOYSA-N
XLogP2.32
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.25
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(aminomethyl)cyclopentyl]-3-bromo-4-ethoxy-5-methoxybenzamide
CID 119600537
N-[2-(aminomethyl)cyclohexyl]-3,4,5-trimethoxybenzamide;hydrochloride
CID 119610035
N-[2-(aminomethyl)cyclopentyl]-3,4-dimethoxybenzamide;hydrochloride
CID 119602992
N-[2-(aminomethyl)cyclopentyl]-4-(difluoromethoxy)-3,5-dimethoxybenzamide
CID 119605365
N-[2-(aminomethyl)cyclohexyl]-4-(2-amino-2-oxoethoxy)-3,5-dimethoxybenzamide
CID 119609355
N-[2-(aminomethyl)cyclopentyl]-5-methoxy-2,3-dihydro-1,4-benzodioxine-7-carboxamide
CID 119604984
N-[2-(aminomethyl)cyclopentyl]-3-hydroxy-4-methoxybenzamide
CID 79725712
4-bromo-N-[(1S,2S)-2-hydroxycyclohexyl]-3,5-dimethoxybenzamide
CID 104957285
N-[2-(aminomethyl)cyclopentyl]-4-(2-amino-2-oxoethoxy)-3-methoxybenzamide;hydrochloride
CID 119601304
N-[2-(aminomethyl)cyclohexyl]-3,4,5-triethoxybenzamide
CID 119610034
N-[2-(aminomethyl)cyclopentyl]-2-fluoro-4,5-dimethoxybenzamide;hydrochloride
CID 119601070
N-[2-(hydroxymethyl)cyclopentyl]-3,4-dimethoxybenzamide
CID 103751338

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)cyclopentyl]-4-bromo-3,5-dimethoxybenzamide?
The IUPAC name of N-[2-(aminomethyl)cyclopentyl]-4-bromo-3,5-dimethoxybenzamide (CID 119600547) is N-[2-(aminomethyl)cyclopentyl]-4-bromo-3,5-dimethoxybenzamide.
What is the SMILES notation for N-[2-(aminomethyl)cyclopentyl]-4-bromo-3,5-dimethoxybenzamide?
The canonical SMILES for N-[2-(aminomethyl)cyclopentyl]-4-bromo-3,5-dimethoxybenzamide is COc1cc(C(=O)NC2CCCC2CN)cc(OC)c1Br.
What is the InChIKey of N-[2-(aminomethyl)cyclopentyl]-4-bromo-3,5-dimethoxybenzamide?
The InChIKey is NVTWIHNCGQWODC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrN2O3/c1-20-12-6-10(7-13(21-2)14(12)16)15(19)18-11-5-3-4-9(11)8-17/h6-7,9,11H,3-5,8,17H2,1-2H3,(H,18,19).
What are the key properties of N-[2-(aminomethyl)cyclopentyl]-4-bromo-3,5-dimethoxybenzamide?
N-[2-(aminomethyl)cyclopentyl]-4-bromo-3,5-dimethoxybenzamide has a molecular weight of 357.25 g/mol, XLogP of 2.32, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)cyclopentyl]-4-bromo-3,5-dimethoxybenzamide is sourced from PubChem (CID 119600547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).