2-(aminomethyl)-N-(2-bromo-4-chlorophenyl)-4-methylpentanamide

C13H18BrClN2O — CID 81264280

IUPAC2-(aminomethyl)-N-(2-bromo-4-chlorophenyl)-4-methylpentanamide
SMILESCC(C)CC(CN)C(=O)Nc1ccc(Cl)cc1Br
InChIInChI=1S/C13H18BrClN2O/c1-8(2)5-9(7-16)13(18)17-12-4-3-10(15)6-11(12)14/h3-4,6,8-9H,5,7,16H2,1-2H3,(H,17,18)
InChIKeyQPOZCHZWFXJHQE-UHFFFAOYSA-N
MW333.66 g/mol
LogP3.66
Rot. Bonds5

About 2-(aminomethyl)-N-(2-bromo-4-chlorophenyl)-4-methylpentanamide

2-(aminomethyl)-N-(2-bromo-4-chlorophenyl)-4-methylpentanamide (PubChem CID 81264280) has the molecular formula C13H18BrClN2O and a molecular weight of 333.66 g/mol. Its IUPAC name is 2-(aminomethyl)-N-(2-bromo-4-chlorophenyl)-4-methylpentanamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-(2-bromo-4-chlorophenyl)-4-methylpentanamide
PubChem CID81264280
Molecular FormulaC13H18BrClN2O
Molecular Weight333.66 g/mol
Exact Mass332.03
IUPAC Name2-(aminomethyl)-N-(2-bromo-4-chlorophenyl)-4-methylpentanamide
SMILESCC(C)CC(CN)C(=O)Nc1ccc(Cl)cc1Br
InChIInChI=1S/C13H18BrClN2O/c1-8(2)5-9(7-16)13(18)17-12-4-3-10(15)6-11(12)14/h3-4,6,8-9H,5,7,16H2,1-2H3,(H,17,18)
InChIKeyQPOZCHZWFXJHQE-UHFFFAOYSA-N
XLogP3.66
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.66
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-amino-N-(2-bromo-4-chlorophenyl)-4-methylpentanamide
CID 104903780
2-[[(2-bromo-4-chlorophenyl)carbamoylamino]methyl]-4-methylpentanoic acid
CID 81281262
5-amino-N-(2-bromo-4-chlorophenyl)-2-methylpentanamide
CID 113441065
5-[[2-(aminomethyl)-4-methylpentanoyl]amino]-2-bromobenzoic acid
CID 115296437
(2-bromo-4-chlorophenyl)urea
CID 81003362
2-(aminomethyl)-N-(4-chloro-2-methylphenyl)pentanamide
CID 65225535
3-amino-N-(2,4-dibromophenyl)-2-methylpropanamide
CID 62669244
2-(aminomethyl)-N-(4-hydroxy-2,5-dimethylphenyl)-4-methylpentanamide
CID 106954435
2-(aminomethyl)-N-(2-bromo-4-fluorophenyl)-4,4-dimethylpentanamide
CID 107471101
2-amino-N-(2-bromo-4-chlorophenyl)-3-cyclopropylpropanamide
CID 112735394
2-(aminomethyl)-N-(6-bromonaphthalen-2-yl)-4-methylpentanamide
CID 81266386
N-(2-bromo-4-chlorophenyl)-2-phenylbutanamide
CID 81272164

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-(2-bromo-4-chlorophenyl)-4-methylpentanamide?
The IUPAC name of 2-(aminomethyl)-N-(2-bromo-4-chlorophenyl)-4-methylpentanamide (CID 81264280) is 2-(aminomethyl)-N-(2-bromo-4-chlorophenyl)-4-methylpentanamide.
What is the SMILES notation for 2-(aminomethyl)-N-(2-bromo-4-chlorophenyl)-4-methylpentanamide?
The canonical SMILES for 2-(aminomethyl)-N-(2-bromo-4-chlorophenyl)-4-methylpentanamide is CC(C)CC(CN)C(=O)Nc1ccc(Cl)cc1Br.
What is the InChIKey of 2-(aminomethyl)-N-(2-bromo-4-chlorophenyl)-4-methylpentanamide?
The InChIKey is QPOZCHZWFXJHQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrClN2O/c1-8(2)5-9(7-16)13(18)17-12-4-3-10(15)6-11(12)14/h3-4,6,8-9H,5,7,16H2,1-2H3,(H,17,18).
What are the key properties of 2-(aminomethyl)-N-(2-bromo-4-chlorophenyl)-4-methylpentanamide?
2-(aminomethyl)-N-(2-bromo-4-chlorophenyl)-4-methylpentanamide has a molecular weight of 333.66 g/mol, XLogP of 3.66, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-(2-bromo-4-chlorophenyl)-4-methylpentanamide is sourced from PubChem (CID 81264280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).