N-[3-(aminomethyl)pentan-3-yl]-3-bromo-4-methoxybenzamide;hydrochloride

C14H22BrClN2O2 — CID 119571870

IUPACN-[3-(aminomethyl)pentan-3-yl]-3-bromo-4-methoxybenzamide;hydrochloride
SMILESCCC(CC)(CN)NC(=O)c1ccc(OC)c(Br)c1.Cl
InChIInChI=1S/C14H21BrN2O2.ClH/c1-4-14(5-2,9-16)17-13(18)10-6-7-12(19-3)11(15)8-10;/h6-8H,4-5,9,16H2,1-3H3,(H,17,18);1H
InChIKeyNVAOVTPXRQGJHQ-UHFFFAOYSA-N
MW365.70 g/mol
LogP3.13
Rot. Bonds6

About N-[3-(aminomethyl)pentan-3-yl]-3-bromo-4-methoxybenzamide;hydrochloride

N-[3-(aminomethyl)pentan-3-yl]-3-bromo-4-methoxybenzamide;hydrochloride (PubChem CID 119571870) has the molecular formula C14H22BrClN2O2 and a molecular weight of 365.70 g/mol. Its IUPAC name is N-[3-(aminomethyl)pentan-3-yl]-3-bromo-4-methoxybenzamide;hydrochloride.

Molecular Properties

Compound NameN-[3-(aminomethyl)pentan-3-yl]-3-bromo-4-methoxybenzamide;hydrochloride
PubChem CID119571870
Molecular FormulaC14H22BrClN2O2
Molecular Weight365.70 g/mol
Exact Mass364.06
IUPAC NameN-[3-(aminomethyl)pentan-3-yl]-3-bromo-4-methoxybenzamide;hydrochloride
SMILESCCC(CC)(CN)NC(=O)c1ccc(OC)c(Br)c1.Cl
InChIInChI=1S/C14H21BrN2O2.ClH/c1-4-14(5-2,9-16)17-13(18)10-6-7-12(19-3)11(15)8-10;/h6-8H,4-5,9,16H2,1-3H3,(H,17,18);1H
InChIKeyNVAOVTPXRQGJHQ-UHFFFAOYSA-N
XLogP3.13
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.70
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[3-(aminomethyl)pentan-3-yl]-3-bromo-4-methoxybenzamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(3-bromo-4-methoxybenzoyl)amino]-2-ethylbutanoic acid
CID 79807070
3-bromo-N-ethyl-4-methoxybenzamide
CID 51200283
3-bromo-N-(1-chloro-2-methylpropan-2-yl)-4-methoxybenzamide
CID 114295158
N-[3-(aminomethyl)pentan-3-yl]-6-bromonaphthalene-2-carboxamide
CID 115354227
N-[1-bromo-2-(bromomethyl)butan-2-yl]-3-hydroxy-4-methoxybenzamide
CID 107867903
3-bromo-N-[2-[(3-bromo-4-methoxybenzoyl)amino]ethyl]-4-methoxybenzamide
CID 5120217
N-[3-(chloromethyl)pentan-3-yl]-3,4-dimethoxybenzamide
CID 114304525
N-[3-(aminomethyl)pentan-3-yl]-5-chloro-2-methoxybenzamide
CID 63886993
3-bromo-4-methoxy-N-(2-methoxyethoxy)benzamide
CID 79672966
N-[3-(aminomethyl)pentan-3-yl]-4-(difluoromethoxy)-3,5-dimethoxybenzamide;hydrochloride
CID 119572146
N-[3-(aminomethyl)pentan-3-yl]-3-iodo-4-methylbenzamide;hydrochloride
CID 119571856
N-[3-(aminomethyl)pentan-3-yl]-4-fluorobenzamide;hydrochloride
CID 119570827

Frequently Asked Questions

What is the IUPAC name of N-[3-(aminomethyl)pentan-3-yl]-3-bromo-4-methoxybenzamide;hydrochloride?
The IUPAC name of N-[3-(aminomethyl)pentan-3-yl]-3-bromo-4-methoxybenzamide;hydrochloride (CID 119571870) is N-[3-(aminomethyl)pentan-3-yl]-3-bromo-4-methoxybenzamide;hydrochloride.
What is the SMILES notation for N-[3-(aminomethyl)pentan-3-yl]-3-bromo-4-methoxybenzamide;hydrochloride?
The canonical SMILES for N-[3-(aminomethyl)pentan-3-yl]-3-bromo-4-methoxybenzamide;hydrochloride is CCC(CC)(CN)NC(=O)c1ccc(OC)c(Br)c1.Cl.
What is the InChIKey of N-[3-(aminomethyl)pentan-3-yl]-3-bromo-4-methoxybenzamide;hydrochloride?
The InChIKey is NVAOVTPXRQGJHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN2O2.ClH/c1-4-14(5-2,9-16)17-13(18)10-6-7-12(19-3)11(15)8-10;/h6-8H,4-5,9,16H2,1-3H3,(H,17,18);1H.
What are the key properties of N-[3-(aminomethyl)pentan-3-yl]-3-bromo-4-methoxybenzamide;hydrochloride?
N-[3-(aminomethyl)pentan-3-yl]-3-bromo-4-methoxybenzamide;hydrochloride has a molecular weight of 365.70 g/mol, XLogP of 3.13, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(aminomethyl)pentan-3-yl]-3-bromo-4-methoxybenzamide;hydrochloride is sourced from PubChem (CID 119571870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).