2-amino-3-(4-bromo-3-methylanilino)propanamide

C10H14BrN3O — CID 103232914

IUPAC2-amino-3-(4-bromo-3-methylanilino)propanamide
SMILESCc1cc(NCC(N)C(N)=O)ccc1Br
InChIInChI=1S/C10H14BrN3O/c1-6-4-7(2-3-8(6)11)14-5-9(12)10(13)15/h2-4,9,14H,5,12H2,1H3,(H2,13,15)
InChIKeyRJQQCCUWOKRJEX-UHFFFAOYSA-N
MW272.15 g/mol
LogP0.98
Rot. Bonds4

About 2-amino-3-(4-bromo-3-methylanilino)propanamide

2-amino-3-(4-bromo-3-methylanilino)propanamide (PubChem CID 103232914) has the molecular formula C10H14BrN3O and a molecular weight of 272.15 g/mol. Its IUPAC name is 2-amino-3-(4-bromo-3-methylanilino)propanamide.

Molecular Properties

Compound Name2-amino-3-(4-bromo-3-methylanilino)propanamide
PubChem CID103232914
Molecular FormulaC10H14BrN3O
Molecular Weight272.15 g/mol
Exact Mass271.03
IUPAC Name2-amino-3-(4-bromo-3-methylanilino)propanamide
SMILESCc1cc(NCC(N)C(N)=O)ccc1Br
InChIInChI=1S/C10H14BrN3O/c1-6-4-7(2-3-8(6)11)14-5-9(12)10(13)15/h2-4,9,14H,5,12H2,1H3,(H2,13,15)
InChIKeyRJQQCCUWOKRJEX-UHFFFAOYSA-N
XLogP0.98
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.15
LogP ≤ 50.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-amino-3-(4-bromo-3-methylanilino)propanamide 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-amino-3-(4-methoxy-3-methylanilino)propanamide
CID 103243682
1-amino-3-(4-bromo-3-methylanilino)propan-2-ol
CID 82044855
(2R)-3-(4-bromo-3-methylanilino)propane-1,2-diol
CID 70935022
2-amino-3-(3,4-dimethylanilino)propanoic acid
CID 103234153
2-amino-3-[3-bromo-4-(trifluoromethoxy)anilino]propanamide
CID 107336597
4-bromo-3-methyl-N-(2-phenylpropyl)aniline
CID 43102221
2-amino-3-(4-iodoanilino)propanamide
CID 103236780
2-amino-N-(4-bromo-3-methylphenyl)-3,3-dimethylbutanamide
CID 76891825
3-(4-bromo-3-methylanilino)-2-hydroxy-2-methylpropanoic acid
CID 104643683
2-amino-3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)propanamide
CID 103233841
2-(aminomethyl)-N-(4-bromo-3-methylphenyl)-4,4-dimethylpentanamide
CID 107470961
N-(4-bromo-3-methylphenyl)-2-(3,4-dimethylanilino)acetamide
CID 109007435

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(4-bromo-3-methylanilino)propanamide?
The IUPAC name of 2-amino-3-(4-bromo-3-methylanilino)propanamide (CID 103232914) is 2-amino-3-(4-bromo-3-methylanilino)propanamide.
What is the SMILES notation for 2-amino-3-(4-bromo-3-methylanilino)propanamide?
The canonical SMILES for 2-amino-3-(4-bromo-3-methylanilino)propanamide is Cc1cc(NCC(N)C(N)=O)ccc1Br.
What is the InChIKey of 2-amino-3-(4-bromo-3-methylanilino)propanamide?
The InChIKey is RJQQCCUWOKRJEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrN3O/c1-6-4-7(2-3-8(6)11)14-5-9(12)10(13)15/h2-4,9,14H,5,12H2,1H3,(H2,13,15).
What are the key properties of 2-amino-3-(4-bromo-3-methylanilino)propanamide?
2-amino-3-(4-bromo-3-methylanilino)propanamide has a molecular weight of 272.15 g/mol, XLogP of 0.98, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(4-bromo-3-methylanilino)propanamide is sourced from PubChem (CID 103232914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).