N-[(1-aminocyclohexyl)methyl]-3-bromo-4-methoxybenzamide;hydrochloride

C15H22BrClN2O2 — CID 119404702

IUPACN-[(1-aminocyclohexyl)methyl]-3-bromo-4-methoxybenzamide;hydrochloride
SMILESCOc1ccc(C(=O)NCC2(N)CCCCC2)cc1Br.Cl
InChIInChI=1S/C15H21BrN2O2.ClH/c1-20-13-6-5-11(9-12(13)16)14(19)18-10-15(17)7-3-2-4-8-15;/h5-6,9H,2-4,7-8,10,17H2,1H3,(H,18,19);1H
InChIKeyMQEWVXKXATVOFQ-UHFFFAOYSA-N
MW377.71 g/mol
LogP3.27
Rot. Bonds4

About N-[(1-aminocyclohexyl)methyl]-3-bromo-4-methoxybenzamide;hydrochloride

N-[(1-aminocyclohexyl)methyl]-3-bromo-4-methoxybenzamide;hydrochloride (PubChem CID 119404702) has the molecular formula C15H22BrClN2O2 and a molecular weight of 377.71 g/mol. Its IUPAC name is N-[(1-aminocyclohexyl)methyl]-3-bromo-4-methoxybenzamide;hydrochloride.

Molecular Properties

Compound NameN-[(1-aminocyclohexyl)methyl]-3-bromo-4-methoxybenzamide;hydrochloride
PubChem CID119404702
Molecular FormulaC15H22BrClN2O2
Molecular Weight377.71 g/mol
Exact Mass376.06
IUPAC NameN-[(1-aminocyclohexyl)methyl]-3-bromo-4-methoxybenzamide;hydrochloride
SMILESCOc1ccc(C(=O)NCC2(N)CCCCC2)cc1Br.Cl
InChIInChI=1S/C15H21BrN2O2.ClH/c1-20-13-6-5-11(9-12(13)16)14(19)18-10-15(17)7-3-2-4-8-15;/h5-6,9H,2-4,7-8,10,17H2,1H3,(H,18,19);1H
InChIKeyMQEWVXKXATVOFQ-UHFFFAOYSA-N
XLogP3.27
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.71
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-N-[(1-ethylcyclobutyl)methyl]-4-methoxybenzamide
CID 103741367
3-bromo-4-methoxy-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]benzamide
CID 103800054
N-[1-(aminomethyl)cyclopentyl]-3-bromo-4-methoxybenzamide
CID 63889365
3-bromo-4-methoxy-N-[(4-methyloxan-4-yl)methyl]benzamide
CID 103742483
3-bromo-N-[2-[(3-bromo-4-methoxybenzoyl)amino]ethyl]-4-methoxybenzamide
CID 5120217
3-bromo-4-methoxy-N-(1-methylcyclobutyl)benzamide
CID 115766099
N-[(1-aminocyclohexyl)methyl]-2-(3,4-dimethoxyphenyl)acetamide;hydrochloride
CID 119404276
3-bromo-N-ethyl-4-methoxybenzamide
CID 51200283
N-[(1-aminocycloheptyl)methyl]-4-(methoxymethyl)benzamide
CID 166201965
N-[[1-(aminomethyl)cyclopentyl]methyl]-3,4-dimethoxybenzamide
CID 115365522
3-amino-N-[[1-(hydroxymethyl)cyclohexyl]methyl]-4-methoxybenzamide
CID 103965168
2-[1-[(3-bromo-4-methoxybenzoyl)amino]cyclobutyl]acetic acid
CID 79848463

Frequently Asked Questions

What is the IUPAC name of N-[(1-aminocyclohexyl)methyl]-3-bromo-4-methoxybenzamide;hydrochloride?
The IUPAC name of N-[(1-aminocyclohexyl)methyl]-3-bromo-4-methoxybenzamide;hydrochloride (CID 119404702) is N-[(1-aminocyclohexyl)methyl]-3-bromo-4-methoxybenzamide;hydrochloride.
What is the SMILES notation for N-[(1-aminocyclohexyl)methyl]-3-bromo-4-methoxybenzamide;hydrochloride?
The canonical SMILES for N-[(1-aminocyclohexyl)methyl]-3-bromo-4-methoxybenzamide;hydrochloride is COc1ccc(C(=O)NCC2(N)CCCCC2)cc1Br.Cl.
What is the InChIKey of N-[(1-aminocyclohexyl)methyl]-3-bromo-4-methoxybenzamide;hydrochloride?
The InChIKey is MQEWVXKXATVOFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrN2O2.ClH/c1-20-13-6-5-11(9-12(13)16)14(19)18-10-15(17)7-3-2-4-8-15;/h5-6,9H,2-4,7-8,10,17H2,1H3,(H,18,19);1H.
What are the key properties of N-[(1-aminocyclohexyl)methyl]-3-bromo-4-methoxybenzamide;hydrochloride?
N-[(1-aminocyclohexyl)methyl]-3-bromo-4-methoxybenzamide;hydrochloride has a molecular weight of 377.71 g/mol, XLogP of 3.27, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-aminocyclohexyl)methyl]-3-bromo-4-methoxybenzamide;hydrochloride is sourced from PubChem (CID 119404702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).