2-amino-N-(3-bromo-4-methylphenyl)propanamide

C10H13BrN2O — CID 63334898

IUPAC2-amino-N-(3-bromo-4-methylphenyl)propanamide
SMILESCc1ccc(NC(=O)C(C)N)cc1Br
InChIInChI=1S/C10H13BrN2O/c1-6-3-4-8(5-9(6)11)13-10(14)7(2)12/h3-5,7H,12H2,1-2H3,(H,13,14)
InChIKeyNQGFDCGJOUKVJW-UHFFFAOYSA-N
MW257.13 g/mol
LogP2.04
Rot. Bonds2

About 2-amino-N-(3-bromo-4-methylphenyl)propanamide

2-amino-N-(3-bromo-4-methylphenyl)propanamide (PubChem CID 63334898) has the molecular formula C10H13BrN2O and a molecular weight of 257.13 g/mol. Its IUPAC name is 2-amino-N-(3-bromo-4-methylphenyl)propanamide.

Molecular Properties

Compound Name2-amino-N-(3-bromo-4-methylphenyl)propanamide
PubChem CID63334898
Molecular FormulaC10H13BrN2O
Molecular Weight257.13 g/mol
Exact Mass256.02
IUPAC Name2-amino-N-(3-bromo-4-methylphenyl)propanamide
SMILESCc1ccc(NC(=O)C(C)N)cc1Br
InChIInChI=1S/C10H13BrN2O/c1-6-3-4-8(5-9(6)11)13-10(14)7(2)12/h3-5,7H,12H2,1-2H3,(H,13,14)
InChIKeyNQGFDCGJOUKVJW-UHFFFAOYSA-N
XLogP2.04
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.13
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-bromo-4-methylphenyl)-2-sulfanylpropanamide
CID 83768513
(2S)-2-amino-N-(3-bromo-4-iodophenyl)propanamide
CID 130163220
2-amino-N-(3-chloro-4-methylphenyl)propanamide
CID 24694047
N-(3-bromo-4-methylphenyl)-2-cyclopropylpropanamide
CID 79505881
2-amino-N-(3-bromo-4-methylphenyl)-4-methoxybutanamide
CID 63334647
(2S)-2-amino-N-(4-bromo-3,5-dimethylphenyl)propanamide
CID 107574322
(2S)-2-amino-N-(3-bromo-4-nitrophenyl)propanamide
CID 82864467
2-amino-N-(3-bromo-4-methylphenyl)-3-phenylpropanamide
CID 63334484
(2S)-2-amino-N-(3-bromo-4-methylphenyl)-3-phenylpropanamide
CID 22691230
N-(3-bromo-4-methylphenyl)-2-(N'-hydroxycarbamimidoyl)-3-methylbutanamide
CID 77011754
(2S)-2-amino-N-(4-fluoro-3-methylphenyl)propanamide
CID 62813030
4-[[(2S)-2-aminopropanoyl]amino]-2-methyl-N-propan-2-ylbenzamide
CID 119321678

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(3-bromo-4-methylphenyl)propanamide?
The IUPAC name of 2-amino-N-(3-bromo-4-methylphenyl)propanamide (CID 63334898) is 2-amino-N-(3-bromo-4-methylphenyl)propanamide.
What is the SMILES notation for 2-amino-N-(3-bromo-4-methylphenyl)propanamide?
The canonical SMILES for 2-amino-N-(3-bromo-4-methylphenyl)propanamide is Cc1ccc(NC(=O)C(C)N)cc1Br.
What is the InChIKey of 2-amino-N-(3-bromo-4-methylphenyl)propanamide?
The InChIKey is NQGFDCGJOUKVJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrN2O/c1-6-3-4-8(5-9(6)11)13-10(14)7(2)12/h3-5,7H,12H2,1-2H3,(H,13,14).
What are the key properties of 2-amino-N-(3-bromo-4-methylphenyl)propanamide?
2-amino-N-(3-bromo-4-methylphenyl)propanamide has a molecular weight of 257.13 g/mol, XLogP of 2.04, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(3-bromo-4-methylphenyl)propanamide is sourced from PubChem (CID 63334898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).