3-(3-bromoanilino)-N-(2-tert-butylphenyl)propanamide

C19H23BrN2O — CID 109037286

IUPAC3-(3-bromoanilino)-N-(2-tert-butylphenyl)propanamide
SMILESCC(C)(C)c1ccccc1NC(=O)CCNc1cccc(Br)c1
InChIInChI=1S/C19H23BrN2O/c1-19(2,3)16-9-4-5-10-17(16)22-18(23)11-12-21-15-8-6-7-14(20)13-15/h4-10,13,21H,11-12H2,1-3H3,(H,22,23)
InChIKeyCXZMMCXPWOKKGI-UHFFFAOYSA-N
MW375.31 g/mol
LogP5.19
Rot. Bonds5

About 3-(3-bromoanilino)-N-(2-tert-butylphenyl)propanamide

3-(3-bromoanilino)-N-(2-tert-butylphenyl)propanamide (PubChem CID 109037286) has the molecular formula C19H23BrN2O and a molecular weight of 375.31 g/mol. Its IUPAC name is 3-(3-bromoanilino)-N-(2-tert-butylphenyl)propanamide.

Molecular Properties

Compound Name3-(3-bromoanilino)-N-(2-tert-butylphenyl)propanamide
PubChem CID109037286
Molecular FormulaC19H23BrN2O
Molecular Weight375.31 g/mol
Exact Mass374.10
IUPAC Name3-(3-bromoanilino)-N-(2-tert-butylphenyl)propanamide
SMILESCC(C)(C)c1ccccc1NC(=O)CCNc1cccc(Br)c1
InChIInChI=1S/C19H23BrN2O/c1-19(2,3)16-9-4-5-10-17(16)22-18(23)11-12-21-15-8-6-7-14(20)13-15/h4-10,13,21H,11-12H2,1-3H3,(H,22,23)
InChIKeyCXZMMCXPWOKKGI-UHFFFAOYSA-N
XLogP5.19
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.31
LogP ≤ 55.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-(3-bromoanilino)-N-(2-tert-butylphenyl)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

N-(2-tert-butylphenyl)-3-(3,5-dimethylanilino)propanamide
CID 109035689
N-(3-bromophenyl)-3-[2-(trifluoromethyl)anilino]propanamide
CID 109040694
3-(4-acetamidoanilino)-N-(2-tert-butylphenyl)propanamide
CID 109037274
N-(2-tert-butylphenyl)-3-(3,4-dimethoxyanilino)propanamide
CID 109037267
N-(4-bromophenyl)-3-(2-tert-butylanilino)propanamide
CID 109037311
3-(3-bromoanilino)-N-methylpropanamide
CID 62324388
N-(2-tert-butylphenyl)-3-(3,4,5-trimethoxyanilino)propanamide
CID 109037292
N-(2-bromophenyl)-3-(3-methylanilino)propanamide
CID 109034300
3-(3-bromoanilino)-N-(2,4-dichlorophenyl)propanamide
CID 109042170
3-(3-methylanilino)-N-(2-methylphenyl)propanamide
CID 109033964
N-(4-bromophenyl)-N'-(2-tert-butylphenyl)propanediamide
CID 108954637
3-(3-bromoanilino)-N-(3,4-difluorophenyl)propanamide
CID 109042183

Frequently Asked Questions

What is the IUPAC name of 3-(3-bromoanilino)-N-(2-tert-butylphenyl)propanamide?
The IUPAC name of 3-(3-bromoanilino)-N-(2-tert-butylphenyl)propanamide (CID 109037286) is 3-(3-bromoanilino)-N-(2-tert-butylphenyl)propanamide.
What is the SMILES notation for 3-(3-bromoanilino)-N-(2-tert-butylphenyl)propanamide?
The canonical SMILES for 3-(3-bromoanilino)-N-(2-tert-butylphenyl)propanamide is CC(C)(C)c1ccccc1NC(=O)CCNc1cccc(Br)c1.
What is the InChIKey of 3-(3-bromoanilino)-N-(2-tert-butylphenyl)propanamide?
The InChIKey is CXZMMCXPWOKKGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23BrN2O/c1-19(2,3)16-9-4-5-10-17(16)22-18(23)11-12-21-15-8-6-7-14(20)13-15/h4-10,13,21H,11-12H2,1-3H3,(H,22,23).
What are the key properties of 3-(3-bromoanilino)-N-(2-tert-butylphenyl)propanamide?
3-(3-bromoanilino)-N-(2-tert-butylphenyl)propanamide has a molecular weight of 375.31 g/mol, XLogP of 5.19, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromoanilino)-N-(2-tert-butylphenyl)propanamide is sourced from PubChem (CID 109037286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).