2-(3-bromoanilino)-2-(4-methylphenyl)propanamide

C16H17BrN2O — CID 60991987

IUPAC2-(3-bromoanilino)-2-(4-methylphenyl)propanamide
SMILESCc1ccc(C(C)(Nc2cccc(Br)c2)C(N)=O)cc1
InChIInChI=1S/C16H17BrN2O/c1-11-6-8-12(9-7-11)16(2,15(18)20)19-14-5-3-4-13(17)10-14/h3-10,19H,1-2H3,(H2,18,20)
InChIKeyRNGFKOAISZHZIR-UHFFFAOYSA-N
MW333.23 g/mol
LogP3.57
Rot. Bonds4

About 2-(3-bromoanilino)-2-(4-methylphenyl)propanamide

2-(3-bromoanilino)-2-(4-methylphenyl)propanamide (PubChem CID 60991987) has the molecular formula C16H17BrN2O and a molecular weight of 333.23 g/mol. Its IUPAC name is 2-(3-bromoanilino)-2-(4-methylphenyl)propanamide.

Molecular Properties

Compound Name2-(3-bromoanilino)-2-(4-methylphenyl)propanamide
PubChem CID60991987
Molecular FormulaC16H17BrN2O
Molecular Weight333.23 g/mol
Exact Mass332.05
IUPAC Name2-(3-bromoanilino)-2-(4-methylphenyl)propanamide
SMILESCc1ccc(C(C)(Nc2cccc(Br)c2)C(N)=O)cc1
InChIInChI=1S/C16H17BrN2O/c1-11-6-8-12(9-7-11)16(2,15(18)20)19-14-5-3-4-13(17)10-14/h3-10,19H,1-2H3,(H2,18,20)
InChIKeyRNGFKOAISZHZIR-UHFFFAOYSA-N
XLogP3.57
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.23
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-bromoanilino)-2-(4-bromophenyl)propanamide
CID 60992244
2-(3-bromoanilino)-2-phenylpropanamide
CID 54891412
2-(3-bromoanilino)-2-(3,4-dichlorophenyl)propanamide
CID 60992379
2-(3-bromoanilino)-2-(2-methylphenyl)propanamide
CID 60992122
2-(3,4-difluorophenyl)-2-(3-methylanilino)propanamide
CID 60996874
2-(3-bromophenyl)-2-(4-chloroanilino)propanamide
CID 60992656
2-(3-chloroanilino)-2-(4-chlorophenyl)propanamide
CID 60996711
2-(3-bromoanilino)-2-(3-bromophenyl)propanoic acid
CID 60993850
methyl 2-(4-bromophenyl)-2-(3-methylanilino)propanoate
CID 60994076
2-(3-methylanilino)-2-pyridin-3-ylpropanamide
CID 54891651
2-(3-bromoanilino)-2-cyclopropylpropanamide
CID 61006538
2-(4-bromoanilino)-2-(4-chlorophenyl)propanamide
CID 60991718

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromoanilino)-2-(4-methylphenyl)propanamide?
The IUPAC name of 2-(3-bromoanilino)-2-(4-methylphenyl)propanamide (CID 60991987) is 2-(3-bromoanilino)-2-(4-methylphenyl)propanamide.
What is the SMILES notation for 2-(3-bromoanilino)-2-(4-methylphenyl)propanamide?
The canonical SMILES for 2-(3-bromoanilino)-2-(4-methylphenyl)propanamide is Cc1ccc(C(C)(Nc2cccc(Br)c2)C(N)=O)cc1.
What is the InChIKey of 2-(3-bromoanilino)-2-(4-methylphenyl)propanamide?
The InChIKey is RNGFKOAISZHZIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrN2O/c1-11-6-8-12(9-7-11)16(2,15(18)20)19-14-5-3-4-13(17)10-14/h3-10,19H,1-2H3,(H2,18,20).
What are the key properties of 2-(3-bromoanilino)-2-(4-methylphenyl)propanamide?
2-(3-bromoanilino)-2-(4-methylphenyl)propanamide has a molecular weight of 333.23 g/mol, XLogP of 3.57, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromoanilino)-2-(4-methylphenyl)propanamide is sourced from PubChem (CID 60991987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).