2-(2-bromo-4-methylanilino)-N-butylpropanamide

C14H21BrN2O — CID 43113797

IUPAC2-(2-bromo-4-methylanilino)-N-butylpropanamide
SMILESCCCCNC(=O)C(C)Nc1ccc(C)cc1Br
InChIInChI=1S/C14H21BrN2O/c1-4-5-8-16-14(18)11(3)17-13-7-6-10(2)9-12(13)15/h6-7,9,11,17H,4-5,8H2,1-3H3,(H,16,18)
InChIKeyFGZWSESYPNFRNV-UHFFFAOYSA-N
MW313.24 g/mol
LogP3.47
Rot. Bonds6

About 2-(2-bromo-4-methylanilino)-N-butylpropanamide

2-(2-bromo-4-methylanilino)-N-butylpropanamide (PubChem CID 43113797) has the molecular formula C14H21BrN2O and a molecular weight of 313.24 g/mol. Its IUPAC name is 2-(2-bromo-4-methylanilino)-N-butylpropanamide.

Molecular Properties

Compound Name2-(2-bromo-4-methylanilino)-N-butylpropanamide
PubChem CID43113797
Molecular FormulaC14H21BrN2O
Molecular Weight313.24 g/mol
Exact Mass312.08
IUPAC Name2-(2-bromo-4-methylanilino)-N-butylpropanamide
SMILESCCCCNC(=O)C(C)Nc1ccc(C)cc1Br
InChIInChI=1S/C14H21BrN2O/c1-4-5-8-16-14(18)11(3)17-13-7-6-10(2)9-12(13)15/h6-7,9,11,17H,4-5,8H2,1-3H3,(H,16,18)
InChIKeyFGZWSESYPNFRNV-UHFFFAOYSA-N
XLogP3.47
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.24
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-(2-bromo-4-methylanilino)-N-butylpropanamide 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

1-(2-bromo-4-methylphenyl)-3-butylurea
CID 28787465
(2S)-2-[(2-bromo-4-methylphenyl)carbamoylamino]-N-propylpropanamide
CID 51928325
2-(2,4-dibromoanilino)-N-(3-methoxypropyl)propanamide
CID 61473681
N-butyl-2-(4-chloro-2-fluoroanilino)propanamide
CID 60721606
1-(2-bromo-4-methylphenyl)-3-[(2S)-pentan-2-yl]urea
CID 51928198
2-(2-bromo-4-fluoroanilino)-N-ethylpropanamide
CID 43119470
2-(5-bromo-2,4-difluoroanilino)-N-pentylpropanamide
CID 102853314
2-(2-bromo-4-fluoroanilino)-N-(3-methoxypropyl)propanamide
CID 43119467
(2R)-2-(2-bromo-4-methylanilino)pentanoic acid
CID 40788533
2-(2-methylanilino)-N-pentylpropanamide
CID 43113317
(Z)-3-(2-bromo-4-methylanilino)-N-butyl-2-cyanoprop-2-enamide
CID 108833847
2-(2-cyano-5-methylanilino)-N-propylpropanamide
CID 62307791

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-methylanilino)-N-butylpropanamide?
The IUPAC name of 2-(2-bromo-4-methylanilino)-N-butylpropanamide (CID 43113797) is 2-(2-bromo-4-methylanilino)-N-butylpropanamide.
What is the SMILES notation for 2-(2-bromo-4-methylanilino)-N-butylpropanamide?
The canonical SMILES for 2-(2-bromo-4-methylanilino)-N-butylpropanamide is CCCCNC(=O)C(C)Nc1ccc(C)cc1Br.
What is the InChIKey of 2-(2-bromo-4-methylanilino)-N-butylpropanamide?
The InChIKey is FGZWSESYPNFRNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN2O/c1-4-5-8-16-14(18)11(3)17-13-7-6-10(2)9-12(13)15/h6-7,9,11,17H,4-5,8H2,1-3H3,(H,16,18).
What are the key properties of 2-(2-bromo-4-methylanilino)-N-butylpropanamide?
2-(2-bromo-4-methylanilino)-N-butylpropanamide has a molecular weight of 313.24 g/mol, XLogP of 3.47, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-methylanilino)-N-butylpropanamide is sourced from PubChem (CID 43113797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).