N-[1-(3-bromoanilino)-1-oxopropan-2-yl]-4-chlorobenzamide

C16H14BrClN2O2 — CID 46744916

IUPACN-[1-(3-bromoanilino)-1-oxopropan-2-yl]-4-chlorobenzamide
SMILESCC(NC(=O)c1ccc(Cl)cc1)C(=O)Nc1cccc(Br)c1
InChIInChI=1S/C16H14BrClN2O2/c1-10(15(21)20-14-4-2-3-12(17)9-14)19-16(22)11-5-7-13(18)8-6-11/h2-10H,1H3,(H,19,22)(H,20,21)
InChIKeyOVCKVHIKJBEAKY-UHFFFAOYSA-N
MW381.66 g/mol
LogP3.86
Rot. Bonds4

About N-[1-(3-bromoanilino)-1-oxopropan-2-yl]-4-chlorobenzamide

N-[1-(3-bromoanilino)-1-oxopropan-2-yl]-4-chlorobenzamide (PubChem CID 46744916) has the molecular formula C16H14BrClN2O2 and a molecular weight of 381.66 g/mol. Its IUPAC name is N-[1-(3-bromoanilino)-1-oxopropan-2-yl]-4-chlorobenzamide.

Molecular Properties

Compound NameN-[1-(3-bromoanilino)-1-oxopropan-2-yl]-4-chlorobenzamide
PubChem CID46744916
Molecular FormulaC16H14BrClN2O2
Molecular Weight381.66 g/mol
Exact Mass379.99
IUPAC NameN-[1-(3-bromoanilino)-1-oxopropan-2-yl]-4-chlorobenzamide
SMILESCC(NC(=O)c1ccc(Cl)cc1)C(=O)Nc1cccc(Br)c1
InChIInChI=1S/C16H14BrClN2O2/c1-10(15(21)20-14-4-2-3-12(17)9-14)19-16(22)11-5-7-13(18)8-6-11/h2-10H,1H3,(H,19,22)(H,20,21)
InChIKeyOVCKVHIKJBEAKY-UHFFFAOYSA-N
XLogP3.86
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.66
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[2-[(4-chlorobenzoyl)amino]propanoylamino]benzamide
CID 112767596
N-[1-(3-acetamidoanilino)-1-oxopropan-2-yl]-4-chlorobenzamide
CID 112763253
N-[(2S)-1-(3-bromoanilino)-1-oxopropan-2-yl]-2-chlorobenzamide
CID 9038644
4-[2-[(4-chlorobenzoyl)amino]propanoylamino]-N-methylbenzamide
CID 51147091
N-[(2S)-1-(3-bromoanilino)-3-methyl-1-oxobutan-2-yl]-4-methoxybenzamide
CID 9138331
4-chloro-N-[1-[3-[(3,5-dimethylpyrazol-1-yl)methyl]anilino]-1-oxopropan-2-yl]benzamide
CID 86901739
N-(3-bromophenyl)-2-hydroxypropanamide
CID 82130318
[1-(3-methoxyanilino)-1-oxopropan-2-yl] 2-[(4-chlorobenzoyl)amino]propanoate
CID 24687676
N-[(2R)-1-(3-fluoroanilino)-1-oxopropan-2-yl]benzamide
CID 51606082
4-chloro-N-[1-(5-chloro-2-methylanilino)-1-oxopropan-2-yl]benzamide
CID 46744939
N-[1-(4-chloroanilino)-1-oxopropan-2-yl]-3,5-difluorobenzamide
CID 42960816
N'-(3-bromophenyl)-N-(4-chlorophenyl)oxamide
CID 108516651

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-bromoanilino)-1-oxopropan-2-yl]-4-chlorobenzamide?
The IUPAC name of N-[1-(3-bromoanilino)-1-oxopropan-2-yl]-4-chlorobenzamide (CID 46744916) is N-[1-(3-bromoanilino)-1-oxopropan-2-yl]-4-chlorobenzamide.
What is the SMILES notation for N-[1-(3-bromoanilino)-1-oxopropan-2-yl]-4-chlorobenzamide?
The canonical SMILES for N-[1-(3-bromoanilino)-1-oxopropan-2-yl]-4-chlorobenzamide is CC(NC(=O)c1ccc(Cl)cc1)C(=O)Nc1cccc(Br)c1.
What is the InChIKey of N-[1-(3-bromoanilino)-1-oxopropan-2-yl]-4-chlorobenzamide?
The InChIKey is OVCKVHIKJBEAKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrClN2O2/c1-10(15(21)20-14-4-2-3-12(17)9-14)19-16(22)11-5-7-13(18)8-6-11/h2-10H,1H3,(H,19,22)(H,20,21).
What are the key properties of N-[1-(3-bromoanilino)-1-oxopropan-2-yl]-4-chlorobenzamide?
N-[1-(3-bromoanilino)-1-oxopropan-2-yl]-4-chlorobenzamide has a molecular weight of 381.66 g/mol, XLogP of 3.86, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-bromoanilino)-1-oxopropan-2-yl]-4-chlorobenzamide is sourced from PubChem (CID 46744916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).