2-(4-bromo-2-chlorophenyl)-2-(4-fluoroanilino)propanamide

C15H13BrClFN2O — CID 82776363

IUPAC2-(4-bromo-2-chlorophenyl)-2-(4-fluoroanilino)propanamide
SMILESCC(Nc1ccc(F)cc1)(C(N)=O)c1ccc(Br)cc1Cl
InChIInChI=1S/C15H13BrClFN2O/c1-15(14(19)21,12-7-2-9(16)8-13(12)17)20-11-5-3-10(18)4-6-11/h2-8,20H,1H3,(H2,19,21)
InChIKeyZZZXGPYXTOXAOW-UHFFFAOYSA-N
MW371.64 g/mol
LogP4.05
Rot. Bonds4

About 2-(4-bromo-2-chlorophenyl)-2-(4-fluoroanilino)propanamide

2-(4-bromo-2-chlorophenyl)-2-(4-fluoroanilino)propanamide (PubChem CID 82776363) has the molecular formula C15H13BrClFN2O and a molecular weight of 371.64 g/mol. Its IUPAC name is 2-(4-bromo-2-chlorophenyl)-2-(4-fluoroanilino)propanamide.

Molecular Properties

Compound Name2-(4-bromo-2-chlorophenyl)-2-(4-fluoroanilino)propanamide
PubChem CID82776363
Molecular FormulaC15H13BrClFN2O
Molecular Weight371.64 g/mol
Exact Mass369.99
IUPAC Name2-(4-bromo-2-chlorophenyl)-2-(4-fluoroanilino)propanamide
SMILESCC(Nc1ccc(F)cc1)(C(N)=O)c1ccc(Br)cc1Cl
InChIInChI=1S/C15H13BrClFN2O/c1-15(14(19)21,12-7-2-9(16)8-13(12)17)20-11-5-3-10(18)4-6-11/h2-8,20H,1H3,(H2,19,21)
InChIKeyZZZXGPYXTOXAOW-UHFFFAOYSA-N
XLogP4.05
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.64
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-bromo-2-fluorophenyl)-2-(4-fluoroanilino)propanamide
CID 82954183
2-(4-bromo-2-chlorophenyl)-2-(ethylamino)propanamide
CID 82773747
2-(4-bromoanilino)-2-(2,4-dimethylphenyl)propanamide
CID 60991291
2-(5-bromo-2-fluorophenyl)-2-(4-fluoroanilino)propanoic acid
CID 82955167
2-(4-bromoanilino)-2-(2-bromophenyl)propanamide
CID 60991854
2-(4-bromoanilino)-2-(4-chlorophenyl)propanamide
CID 60991718
2-(3-bromophenyl)-2-(4-chloroanilino)propanamide
CID 60992656
2-(3-chloroanilino)-2-(2,4-difluorophenyl)propanamide
CID 60996710
2-(4-chloroanilino)-2-(3-fluorophenyl)propanamide
CID 60991447
methyl 2-(4-bromophenyl)-2-(4-fluoroanilino)propanoate
CID 60990747
2-(4-bromo-2-chlorophenyl)-2-methylpropanoic acid
CID 83745261
1-(4-bromo-2-chlorophenyl)-1-(4-fluoro-2-methylphenyl)ethanamine
CID 82778962

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-chlorophenyl)-2-(4-fluoroanilino)propanamide?
The IUPAC name of 2-(4-bromo-2-chlorophenyl)-2-(4-fluoroanilino)propanamide (CID 82776363) is 2-(4-bromo-2-chlorophenyl)-2-(4-fluoroanilino)propanamide.
What is the SMILES notation for 2-(4-bromo-2-chlorophenyl)-2-(4-fluoroanilino)propanamide?
The canonical SMILES for 2-(4-bromo-2-chlorophenyl)-2-(4-fluoroanilino)propanamide is CC(Nc1ccc(F)cc1)(C(N)=O)c1ccc(Br)cc1Cl.
What is the InChIKey of 2-(4-bromo-2-chlorophenyl)-2-(4-fluoroanilino)propanamide?
The InChIKey is ZZZXGPYXTOXAOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrClFN2O/c1-15(14(19)21,12-7-2-9(16)8-13(12)17)20-11-5-3-10(18)4-6-11/h2-8,20H,1H3,(H2,19,21).
What are the key properties of 2-(4-bromo-2-chlorophenyl)-2-(4-fluoroanilino)propanamide?
2-(4-bromo-2-chlorophenyl)-2-(4-fluoroanilino)propanamide has a molecular weight of 371.64 g/mol, XLogP of 4.05, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-chlorophenyl)-2-(4-fluoroanilino)propanamide is sourced from PubChem (CID 82776363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).