2-(4-bromoanilino)-2-(4-chlorophenyl)propanamide

C15H14BrClN2O — CID 60991718

IUPAC2-(4-bromoanilino)-2-(4-chlorophenyl)propanamide
SMILESCC(Nc1ccc(Br)cc1)(C(N)=O)c1ccc(Cl)cc1
InChIInChI=1S/C15H14BrClN2O/c1-15(14(18)20,10-2-6-12(17)7-3-10)19-13-8-4-11(16)5-9-13/h2-9,19H,1H3,(H2,18,20)
InChIKeyLBYXHPMFNMMKQR-UHFFFAOYSA-N
MW353.65 g/mol
LogP3.92
Rot. Bonds4

About 2-(4-bromoanilino)-2-(4-chlorophenyl)propanamide

2-(4-bromoanilino)-2-(4-chlorophenyl)propanamide (PubChem CID 60991718) has the molecular formula C15H14BrClN2O and a molecular weight of 353.65 g/mol. Its IUPAC name is 2-(4-bromoanilino)-2-(4-chlorophenyl)propanamide.

Molecular Properties

Compound Name2-(4-bromoanilino)-2-(4-chlorophenyl)propanamide
PubChem CID60991718
Molecular FormulaC15H14BrClN2O
Molecular Weight353.65 g/mol
Exact Mass352.00
IUPAC Name2-(4-bromoanilino)-2-(4-chlorophenyl)propanamide
SMILESCC(Nc1ccc(Br)cc1)(C(N)=O)c1ccc(Cl)cc1
InChIInChI=1S/C15H14BrClN2O/c1-15(14(18)20,10-2-6-12(17)7-3-10)19-13-8-4-11(16)5-9-13/h2-9,19H,1H3,(H2,18,20)
InChIKeyLBYXHPMFNMMKQR-UHFFFAOYSA-N
XLogP3.92
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.65
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-bromophenyl)-2-(4-chloroanilino)propanamide
CID 60992656
2-(4-bromophenyl)-2-(4-methoxyanilino)propanamide
CID 60996145
2-(4-bromoanilino)-2-pyridin-4-ylpropanamide
CID 54891362
2-(3-bromoanilino)-2-(4-bromophenyl)propanamide
CID 60992244
2-(3-chloroanilino)-2-(4-chlorophenyl)propanamide
CID 60996711
2-(4-chloroanilino)-2-(3-fluorophenyl)propanamide
CID 60991447
2-(4-bromoanilino)-2-(2-bromophenyl)propanamide
CID 60991854
2-(3-bromoanilino)-2-(3,4-dichlorophenyl)propanamide
CID 60992379
2-(4-chlorophenyl)-2-(2-methylanilino)propanamide
CID 60996438
2-anilino-2-(4-bromophenyl)propanoic acid
CID 60990809
2-(4-bromoanilino)-2-(2,4-dimethylphenyl)propanamide
CID 60991291
2-(4-bromo-2-chlorophenyl)-2-(4-fluoroanilino)propanamide
CID 82776363

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromoanilino)-2-(4-chlorophenyl)propanamide?
The IUPAC name of 2-(4-bromoanilino)-2-(4-chlorophenyl)propanamide (CID 60991718) is 2-(4-bromoanilino)-2-(4-chlorophenyl)propanamide.
What is the SMILES notation for 2-(4-bromoanilino)-2-(4-chlorophenyl)propanamide?
The canonical SMILES for 2-(4-bromoanilino)-2-(4-chlorophenyl)propanamide is CC(Nc1ccc(Br)cc1)(C(N)=O)c1ccc(Cl)cc1.
What is the InChIKey of 2-(4-bromoanilino)-2-(4-chlorophenyl)propanamide?
The InChIKey is LBYXHPMFNMMKQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrClN2O/c1-15(14(18)20,10-2-6-12(17)7-3-10)19-13-8-4-11(16)5-9-13/h2-9,19H,1H3,(H2,18,20).
What are the key properties of 2-(4-bromoanilino)-2-(4-chlorophenyl)propanamide?
2-(4-bromoanilino)-2-(4-chlorophenyl)propanamide has a molecular weight of 353.65 g/mol, XLogP of 3.92, 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-(4-chlorophenyl)propanamide is sourced from PubChem (CID 60991718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).