2-(3-bromophenyl)-2-(4-chloroanilino)propanamide

C15H14BrClN2O — CID 60992656

IUPAC2-(3-bromophenyl)-2-(4-chloroanilino)propanamide
SMILESCC(Nc1ccc(Cl)cc1)(C(N)=O)c1cccc(Br)c1
InChIInChI=1S/C15H14BrClN2O/c1-15(14(18)20,10-3-2-4-11(16)9-10)19-13-7-5-12(17)6-8-13/h2-9,19H,1H3,(H2,18,20)
InChIKeyYRIPAMQTKJRTKA-UHFFFAOYSA-N
MW353.65 g/mol
LogP3.92
Rot. Bonds4

About 2-(3-bromophenyl)-2-(4-chloroanilino)propanamide

2-(3-bromophenyl)-2-(4-chloroanilino)propanamide (PubChem CID 60992656) has the molecular formula C15H14BrClN2O and a molecular weight of 353.65 g/mol. Its IUPAC name is 2-(3-bromophenyl)-2-(4-chloroanilino)propanamide.

Molecular Properties

Compound Name2-(3-bromophenyl)-2-(4-chloroanilino)propanamide
PubChem CID60992656
Molecular FormulaC15H14BrClN2O
Molecular Weight353.65 g/mol
Exact Mass352.00
IUPAC Name2-(3-bromophenyl)-2-(4-chloroanilino)propanamide
SMILESCC(Nc1ccc(Cl)cc1)(C(N)=O)c1cccc(Br)c1
InChIInChI=1S/C15H14BrClN2O/c1-15(14(18)20,10-3-2-4-11(16)9-10)19-13-7-5-12(17)6-8-13/h2-9,19H,1H3,(H2,18,20)
InChIKeyYRIPAMQTKJRTKA-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-(4-bromoanilino)-2-(4-chlorophenyl)propanamide
CID 60991718
2-(4-chloroanilino)-2-(3-fluorophenyl)propanamide
CID 60991447
2-(3-bromoanilino)-2-phenylpropanamide
CID 54891412
2-(3-bromoanilino)-2-(3,4-dichlorophenyl)propanamide
CID 60992379
2-(3-bromoanilino)-2-(4-bromophenyl)propanamide
CID 60992244
2-(3-chloroanilino)-2-(4-chlorophenyl)propanamide
CID 60996711
2-(3-bromoanilino)-2-(4-methylphenyl)propanamide
CID 60991987
2-(3-bromoanilino)-2-(3-bromophenyl)propanoic acid
CID 60993850
2-(3-bromophenyl)-2-(cyclopentylamino)propanamide
CID 54893904
2-(4-bromo-2-chlorophenyl)-2-(4-fluoroanilino)propanamide
CID 82776363
2-(4-bromoanilino)-2-pyridin-4-ylpropanamide
CID 54891362
2-(3-bromoanilino)-2-(2-methylphenyl)propanamide
CID 60992122

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)-2-(4-chloroanilino)propanamide?
The IUPAC name of 2-(3-bromophenyl)-2-(4-chloroanilino)propanamide (CID 60992656) is 2-(3-bromophenyl)-2-(4-chloroanilino)propanamide.
What is the SMILES notation for 2-(3-bromophenyl)-2-(4-chloroanilino)propanamide?
The canonical SMILES for 2-(3-bromophenyl)-2-(4-chloroanilino)propanamide is CC(Nc1ccc(Cl)cc1)(C(N)=O)c1cccc(Br)c1.
What is the InChIKey of 2-(3-bromophenyl)-2-(4-chloroanilino)propanamide?
The InChIKey is YRIPAMQTKJRTKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrClN2O/c1-15(14(18)20,10-3-2-4-11(16)9-10)19-13-7-5-12(17)6-8-13/h2-9,19H,1H3,(H2,18,20).
What are the key properties of 2-(3-bromophenyl)-2-(4-chloroanilino)propanamide?
2-(3-bromophenyl)-2-(4-chloroanilino)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-(3-bromophenyl)-2-(4-chloroanilino)propanamide is sourced from PubChem (CID 60992656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).