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

C16H14BrClN2O2 — CID 9038644

IUPACN-[(2S)-1-(3-bromoanilino)-1-oxopropan-2-yl]-2-chlorobenzamide
SMILESC[C@H](NC(=O)c1ccccc1Cl)C(=O)Nc1cccc(Br)c1
InChIInChI=1S/C16H14BrClN2O2/c1-10(15(21)20-12-6-4-5-11(17)9-12)19-16(22)13-7-2-3-8-14(13)18/h2-10H,1H3,(H,19,22)(H,20,21)/t10-/m0/s1
InChIKeyVPGNYWBYGKXIGR-JTQLQIEISA-N
MW381.66 g/mol
LogP3.86
Rot. Bonds4

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

N-[(2S)-1-(3-bromoanilino)-1-oxopropan-2-yl]-2-chlorobenzamide (PubChem CID 9038644) has the molecular formula C16H14BrClN2O2 and a molecular weight of 381.66 g/mol. Its IUPAC name is N-[(2S)-1-(3-bromoanilino)-1-oxopropan-2-yl]-2-chlorobenzamide.

Molecular Properties

Compound NameN-[(2S)-1-(3-bromoanilino)-1-oxopropan-2-yl]-2-chlorobenzamide
PubChem CID9038644
Molecular FormulaC16H14BrClN2O2
Molecular Weight381.66 g/mol
Exact Mass379.99
IUPAC NameN-[(2S)-1-(3-bromoanilino)-1-oxopropan-2-yl]-2-chlorobenzamide
SMILESC[C@H](NC(=O)c1ccccc1Cl)C(=O)Nc1cccc(Br)c1
InChIInChI=1S/C16H14BrClN2O2/c1-10(15(21)20-12-6-4-5-11(17)9-12)19-16(22)13-7-2-3-8-14(13)18/h2-10H,1H3,(H,19,22)(H,20,21)/t10-/m0/s1
InChIKeyVPGNYWBYGKXIGR-JTQLQIEISA-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

N-[1-(3-bromoanilino)-1-oxopropan-2-yl]-4-chlorobenzamide
CID 46744916
2-chloro-N-[1-[3-[(2-methoxyacetyl)amino]anilino]-1-oxopropan-2-yl]benzamide
CID 46579661
2,3-dichloro-N-[1-[3-(2-methylpropanoylamino)anilino]-1-oxopropan-2-yl]benzamide
CID 55852819
N-[1-(3-bromoanilino)-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide
CID 43010152
[1-(3-acetylanilino)-1-oxopropan-2-yl] 2-[(2-chlorobenzoyl)amino]propanoate
CID 55307038
2-chloro-N-[1-oxo-1-(4-propylanilino)propan-2-yl]benzamide
CID 42907437
2-chloro-N-[(2S)-1-[2-(2-chlorobenzoyl)hydrazinyl]-1-oxopropan-2-yl]benzamide
CID 2712046
2-chloro-N-[(2S)-1-[4-methyl-3-(methylsulfamoyl)anilino]-1-oxopropan-2-yl]benzamide
CID 9479366
2-chloro-N-[1-(3,4-dipropoxyanilino)-1-oxopropan-2-yl]benzamide
CID 43007187
N-(3-bromophenyl)-2-hydroxypropanamide
CID 82130318
2-chloro-N-[(2S)-1-[4-(4-methylphenoxy)anilino]-1-oxopropan-2-yl]benzamide
CID 7613421
2-chloro-N-[(2R)-1-[4-chloro-3-(diethylsulfamoyl)anilino]-1-oxopropan-2-yl]benzamide
CID 41153673

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-(3-bromoanilino)-1-oxopropan-2-yl]-2-chlorobenzamide?
The IUPAC name of N-[(2S)-1-(3-bromoanilino)-1-oxopropan-2-yl]-2-chlorobenzamide (CID 9038644) is N-[(2S)-1-(3-bromoanilino)-1-oxopropan-2-yl]-2-chlorobenzamide.
What is the SMILES notation for N-[(2S)-1-(3-bromoanilino)-1-oxopropan-2-yl]-2-chlorobenzamide?
The canonical SMILES for N-[(2S)-1-(3-bromoanilino)-1-oxopropan-2-yl]-2-chlorobenzamide is C[C@H](NC(=O)c1ccccc1Cl)C(=O)Nc1cccc(Br)c1.
What is the InChIKey of N-[(2S)-1-(3-bromoanilino)-1-oxopropan-2-yl]-2-chlorobenzamide?
The InChIKey is VPGNYWBYGKXIGR-JTQLQIEISA-N. The full InChI is InChI=1S/C16H14BrClN2O2/c1-10(15(21)20-12-6-4-5-11(17)9-12)19-16(22)13-7-2-3-8-14(13)18/h2-10H,1H3,(H,19,22)(H,20,21)/t10-/m0/s1.
What are the key properties of N-[(2S)-1-(3-bromoanilino)-1-oxopropan-2-yl]-2-chlorobenzamide?
N-[(2S)-1-(3-bromoanilino)-1-oxopropan-2-yl]-2-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-[(2S)-1-(3-bromoanilino)-1-oxopropan-2-yl]-2-chlorobenzamide is sourced from PubChem (CID 9038644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).