3-(3-bromo-4-methylanilino)-N-(2,4-dimethylphenyl)propanamide

C18H21BrN2O — CID 109035100

IUPAC3-(3-bromo-4-methylanilino)-N-(2,4-dimethylphenyl)propanamide
SMILESCc1ccc(NC(=O)CCNc2ccc(C)c(Br)c2)c(C)c1
InChIInChI=1S/C18H21BrN2O/c1-12-4-7-17(14(3)10-12)21-18(22)8-9-20-15-6-5-13(2)16(19)11-15/h4-7,10-11,20H,8-9H2,1-3H3,(H,21,22)
InChIKeyZOFLTFYEWGLBOB-UHFFFAOYSA-N
MW361.28 g/mol
LogP4.82
Rot. Bonds5

About 3-(3-bromo-4-methylanilino)-N-(2,4-dimethylphenyl)propanamide

3-(3-bromo-4-methylanilino)-N-(2,4-dimethylphenyl)propanamide (PubChem CID 109035100) has the molecular formula C18H21BrN2O and a molecular weight of 361.28 g/mol. Its IUPAC name is 3-(3-bromo-4-methylanilino)-N-(2,4-dimethylphenyl)propanamide.

Molecular Properties

Compound Name3-(3-bromo-4-methylanilino)-N-(2,4-dimethylphenyl)propanamide
PubChem CID109035100
Molecular FormulaC18H21BrN2O
Molecular Weight361.28 g/mol
Exact Mass360.08
IUPAC Name3-(3-bromo-4-methylanilino)-N-(2,4-dimethylphenyl)propanamide
SMILESCc1ccc(NC(=O)CCNc2ccc(C)c(Br)c2)c(C)c1
InChIInChI=1S/C18H21BrN2O/c1-12-4-7-17(14(3)10-12)21-18(22)8-9-20-15-6-5-13(2)16(19)11-15/h4-7,10-11,20H,8-9H2,1-3H3,(H,21,22)
InChIKeyZOFLTFYEWGLBOB-UHFFFAOYSA-N
XLogP4.82
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.28
LogP ≤ 54.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-bromo-4-methylphenyl)-N'-(2,4-dimethylphenyl)oxamide
CID 108986806
N-(2,4-dimethylphenyl)-3-(4-ethoxyanilino)propanamide
CID 109035105
N-(4-bromo-2-methylphenyl)-3-(3,4-difluoroanilino)propanamide
CID 109042222
3-(4-acetylanilino)-N-(2-bromo-4-methylphenyl)propanamide
CID 109041057
3-(3-bromo-4-methylanilino)-N-(2-ethoxyphenyl)propanamide
CID 109039314
N-(2-bromo-4-methylphenyl)-3-(3,4-dimethoxyanilino)propanamide
CID 109040606
N-(2,4-dimethylphenyl)-3-(2-fluoroanilino)propanamide
CID 109035088
N-(3-acetamidophenyl)-3-(3-bromo-4-methylanilino)propanamide
CID 109039324
3-(3-methylanilino)-N-(2-methylphenyl)propanamide
CID 109033964
3-(3-bromo-4-methylanilino)-N-propan-2-ylpropanamide
CID 63333816
N-(2-bromo-4-methylphenyl)-3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)propanamide
CID 109042186
N-(2,4-dimethylphenyl)-3-[4-(4-methylpiperazin-1-yl)anilino]propanamide
CID 109035128

Frequently Asked Questions

What is the IUPAC name of 3-(3-bromo-4-methylanilino)-N-(2,4-dimethylphenyl)propanamide?
The IUPAC name of 3-(3-bromo-4-methylanilino)-N-(2,4-dimethylphenyl)propanamide (CID 109035100) is 3-(3-bromo-4-methylanilino)-N-(2,4-dimethylphenyl)propanamide.
What is the SMILES notation for 3-(3-bromo-4-methylanilino)-N-(2,4-dimethylphenyl)propanamide?
The canonical SMILES for 3-(3-bromo-4-methylanilino)-N-(2,4-dimethylphenyl)propanamide is Cc1ccc(NC(=O)CCNc2ccc(C)c(Br)c2)c(C)c1.
What is the InChIKey of 3-(3-bromo-4-methylanilino)-N-(2,4-dimethylphenyl)propanamide?
The InChIKey is ZOFLTFYEWGLBOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21BrN2O/c1-12-4-7-17(14(3)10-12)21-18(22)8-9-20-15-6-5-13(2)16(19)11-15/h4-7,10-11,20H,8-9H2,1-3H3,(H,21,22).
What are the key properties of 3-(3-bromo-4-methylanilino)-N-(2,4-dimethylphenyl)propanamide?
3-(3-bromo-4-methylanilino)-N-(2,4-dimethylphenyl)propanamide has a molecular weight of 361.28 g/mol, XLogP of 4.82, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromo-4-methylanilino)-N-(2,4-dimethylphenyl)propanamide is sourced from PubChem (CID 109035100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).