2-amino-N-(5-bromo-2-methylphenyl)-4-methylpentanamide

C13H19BrN2O — CID 43712543

IUPAC2-amino-N-(5-bromo-2-methylphenyl)-4-methylpentanamide
SMILESCc1ccc(Br)cc1NC(=O)C(N)CC(C)C
InChIInChI=1S/C13H19BrN2O/c1-8(2)6-11(15)13(17)16-12-7-10(14)5-4-9(12)3/h4-5,7-8,11H,6,15H2,1-3H3,(H,16,17)
InChIKeyDDUSQXJQQMJCNA-UHFFFAOYSA-N
MW299.21 g/mol
LogP3.07
Rot. Bonds4

About 2-amino-N-(5-bromo-2-methylphenyl)-4-methylpentanamide

2-amino-N-(5-bromo-2-methylphenyl)-4-methylpentanamide (PubChem CID 43712543) has the molecular formula C13H19BrN2O and a molecular weight of 299.21 g/mol. Its IUPAC name is 2-amino-N-(5-bromo-2-methylphenyl)-4-methylpentanamide.

Molecular Properties

Compound Name2-amino-N-(5-bromo-2-methylphenyl)-4-methylpentanamide
PubChem CID43712543
Molecular FormulaC13H19BrN2O
Molecular Weight299.21 g/mol
Exact Mass298.07
IUPAC Name2-amino-N-(5-bromo-2-methylphenyl)-4-methylpentanamide
SMILESCc1ccc(Br)cc1NC(=O)C(N)CC(C)C
InChIInChI=1S/C13H19BrN2O/c1-8(2)6-11(15)13(17)16-12-7-10(14)5-4-9(12)3/h4-5,7-8,11H,6,15H2,1-3H3,(H,16,17)
InChIKeyDDUSQXJQQMJCNA-UHFFFAOYSA-N
XLogP3.07
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.21
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-amino-N-[3-(5-bromo-2-methylanilino)-3-oxopropyl]-4-methylpentanamide
CID 119764254
2-amino-N-(2,5-dimethylphenyl)-4-methylpentanamide
CID 24690389
2-amino-N-(5-bromo-2-methylphenyl)propanamide;hydrochloride
CID 119279910
3-[[(2S)-2-amino-4-methylpentanoyl]amino]-4-methylbenzamide
CID 119711747
(2S)-2-amino-N-(5-bromo-2-cyanophenyl)-4-methylpentanamide
CID 107798203
2-amino-N-(5-bromo-2-methylphenyl)-3-methylbutanamide
CID 43712521
2-amino-N-(5-bromo-2-methylphenyl)hexanamide
CID 60854245
2-amino-N-(5-bromo-2-methylphenyl)-4-methylsulfonylbutanamide
CID 43712537
3-[[(2S)-2-amino-4-methylpentanoyl]amino]-N,4-dimethylbenzamide
CID 61179907
(2S)-2-amino-4-methyl-N-(2-methylphenyl)pentanamide
CID 22691032
(2S,3S)-2-amino-N-(5-bromo-2-methylphenyl)-3-methylpentanamide
CID 61178087
(2S)-2-amino-N-[4-bromo-2-(trifluoromethyl)phenyl]-4-methylpentanamide
CID 61178655

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(5-bromo-2-methylphenyl)-4-methylpentanamide?
The IUPAC name of 2-amino-N-(5-bromo-2-methylphenyl)-4-methylpentanamide (CID 43712543) is 2-amino-N-(5-bromo-2-methylphenyl)-4-methylpentanamide.
What is the SMILES notation for 2-amino-N-(5-bromo-2-methylphenyl)-4-methylpentanamide?
The canonical SMILES for 2-amino-N-(5-bromo-2-methylphenyl)-4-methylpentanamide is Cc1ccc(Br)cc1NC(=O)C(N)CC(C)C.
What is the InChIKey of 2-amino-N-(5-bromo-2-methylphenyl)-4-methylpentanamide?
The InChIKey is DDUSQXJQQMJCNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2O/c1-8(2)6-11(15)13(17)16-12-7-10(14)5-4-9(12)3/h4-5,7-8,11H,6,15H2,1-3H3,(H,16,17).
What are the key properties of 2-amino-N-(5-bromo-2-methylphenyl)-4-methylpentanamide?
2-amino-N-(5-bromo-2-methylphenyl)-4-methylpentanamide has a molecular weight of 299.21 g/mol, XLogP of 3.07, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(5-bromo-2-methylphenyl)-4-methylpentanamide is sourced from PubChem (CID 43712543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).