2-(4-bromoanilino)-2-(2,4-dimethylphenyl)propanamide

C17H19BrN2O — CID 60991291

IUPAC2-(4-bromoanilino)-2-(2,4-dimethylphenyl)propanamide
SMILESCc1ccc(C(C)(Nc2ccc(Br)cc2)C(N)=O)c(C)c1
InChIInChI=1S/C17H19BrN2O/c1-11-4-9-15(12(2)10-11)17(3,16(19)21)20-14-7-5-13(18)6-8-14/h4-10,20H,1-3H3,(H2,19,21)
InChIKeyFFIKNXJJPFZEMT-UHFFFAOYSA-N
MW347.26 g/mol
LogP3.88
Rot. Bonds4

About 2-(4-bromoanilino)-2-(2,4-dimethylphenyl)propanamide

2-(4-bromoanilino)-2-(2,4-dimethylphenyl)propanamide (PubChem CID 60991291) has the molecular formula C17H19BrN2O and a molecular weight of 347.26 g/mol. Its IUPAC name is 2-(4-bromoanilino)-2-(2,4-dimethylphenyl)propanamide.

Molecular Properties

Compound Name2-(4-bromoanilino)-2-(2,4-dimethylphenyl)propanamide
PubChem CID60991291
Molecular FormulaC17H19BrN2O
Molecular Weight347.26 g/mol
Exact Mass346.07
IUPAC Name2-(4-bromoanilino)-2-(2,4-dimethylphenyl)propanamide
SMILESCc1ccc(C(C)(Nc2ccc(Br)cc2)C(N)=O)c(C)c1
InChIInChI=1S/C17H19BrN2O/c1-11-4-9-15(12(2)10-11)17(3,16(19)21)20-14-7-5-13(18)6-8-14/h4-10,20H,1-3H3,(H2,19,21)
InChIKeyFFIKNXJJPFZEMT-UHFFFAOYSA-N
XLogP3.88
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.26
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-bromoanilino)-2-(2-bromophenyl)propanamide
CID 60991854
2-(4-bromo-2-fluorophenyl)-2-(4-fluoroanilino)propanamide
CID 82954183
2-(4-bromo-2-chlorophenyl)-2-(4-fluoroanilino)propanamide
CID 82776363
2-(3-bromoanilino)-2-(2-methylphenyl)propanamide
CID 60992122
2-(4-bromoanilino)-2-pyridin-4-ylpropanamide
CID 54891362
2-(4-bromoanilino)-2-(4-chlorophenyl)propanamide
CID 60991718
2-(cyclopentylamino)-2-(2,4-dimethylphenyl)propanamide
CID 54894284
2-(4-bromophenyl)-2-(4-methoxyanilino)propanamide
CID 60996145
2-(3-bromoanilino)-2-(4-methylphenyl)propanamide
CID 60991987
2-(3-bromoanilino)-2-(4-bromophenyl)propanamide
CID 60992244
2-(2-bromoanilino)-2-(2,4-dimethylphenyl)propanoic acid
CID 60992830
2-(3-bromophenyl)-2-(4-chloroanilino)propanamide
CID 60992656

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromoanilino)-2-(2,4-dimethylphenyl)propanamide?
The IUPAC name of 2-(4-bromoanilino)-2-(2,4-dimethylphenyl)propanamide (CID 60991291) is 2-(4-bromoanilino)-2-(2,4-dimethylphenyl)propanamide.
What is the SMILES notation for 2-(4-bromoanilino)-2-(2,4-dimethylphenyl)propanamide?
The canonical SMILES for 2-(4-bromoanilino)-2-(2,4-dimethylphenyl)propanamide is Cc1ccc(C(C)(Nc2ccc(Br)cc2)C(N)=O)c(C)c1.
What is the InChIKey of 2-(4-bromoanilino)-2-(2,4-dimethylphenyl)propanamide?
The InChIKey is FFIKNXJJPFZEMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrN2O/c1-11-4-9-15(12(2)10-11)17(3,16(19)21)20-14-7-5-13(18)6-8-14/h4-10,20H,1-3H3,(H2,19,21).
What are the key properties of 2-(4-bromoanilino)-2-(2,4-dimethylphenyl)propanamide?
2-(4-bromoanilino)-2-(2,4-dimethylphenyl)propanamide has a molecular weight of 347.26 g/mol, XLogP of 3.88, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromoanilino)-2-(2,4-dimethylphenyl)propanamide is sourced from PubChem (CID 60991291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).