N-[1-(2-chloroanilino)-1-oxopropan-2-yl]benzamide

C16H15ClN2O2 — CID 46756229

IUPACN-[1-(2-chloroanilino)-1-oxopropan-2-yl]benzamide
SMILESCC(NC(=O)c1ccccc1)C(=O)Nc1ccccc1Cl
InChIInChI=1S/C16H15ClN2O2/c1-11(18-16(21)12-7-3-2-4-8-12)15(20)19-14-10-6-5-9-13(14)17/h2-11H,1H3,(H,18,21)(H,19,20)
InChIKeyLBYVVKOKQWXDFB-UHFFFAOYSA-N
MW302.76 g/mol
LogP3.10
Rot. Bonds4

About N-[1-(2-chloroanilino)-1-oxopropan-2-yl]benzamide

N-[1-(2-chloroanilino)-1-oxopropan-2-yl]benzamide (PubChem CID 46756229) has the molecular formula C16H15ClN2O2 and a molecular weight of 302.76 g/mol. Its IUPAC name is N-[1-(2-chloroanilino)-1-oxopropan-2-yl]benzamide.

Molecular Properties

Compound NameN-[1-(2-chloroanilino)-1-oxopropan-2-yl]benzamide
PubChem CID46756229
Molecular FormulaC16H15ClN2O2
Molecular Weight302.76 g/mol
Exact Mass302.08
IUPAC NameN-[1-(2-chloroanilino)-1-oxopropan-2-yl]benzamide
SMILESCC(NC(=O)c1ccccc1)C(=O)Nc1ccccc1Cl
InChIInChI=1S/C16H15ClN2O2/c1-11(18-16(21)12-7-3-2-4-8-12)15(20)19-14-10-6-5-9-13(14)17/h2-11H,1H3,(H,18,21)(H,19,20)
InChIKeyLBYVVKOKQWXDFB-UHFFFAOYSA-N
XLogP3.10
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.76
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(2-chloroanilino)-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 46756505
N-[1-[(2-methyl-3-pyridinyl)amino]-1-oxopropan-2-yl]benzamide
CID 134351059
(2S)-2-chloro-N-(2-chlorophenyl)-3-oxo-3-phenylpropanamide
CID 836187
2-[(2-chlorophenyl)carbamoylamino]propanoic acid
CID 3838662
N-[1-(3-chloro-4-methylanilino)-1-oxopropan-2-yl]benzamide
CID 24638933
N-[1-(2-chloroanilino)-3-methyl-1-oxobutan-2-yl]-4-fluorobenzamide
CID 112760791
N-[1-oxo-1-(propan-2-ylamino)propan-2-yl]benzamide
CID 42909871
N-[(2S)-1-(methylamino)-1-oxopropan-2-yl]benzamide
CID 68732786
N-(2-chlorophenyl)-2-phenylpropanamide
CID 70678301
N-[1-(2,4-difluoroanilino)-1-oxopropan-2-yl]benzamide
CID 18160924
N-[1-[2-methyl-3-(trifluoromethyl)anilino]-1-oxopropan-2-yl]benzamide
CID 134351074
N-[(2R)-1-hydrazinyl-1-oxopropan-2-yl]benzamide
CID 673653

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-chloroanilino)-1-oxopropan-2-yl]benzamide?
The IUPAC name of N-[1-(2-chloroanilino)-1-oxopropan-2-yl]benzamide (CID 46756229) is N-[1-(2-chloroanilino)-1-oxopropan-2-yl]benzamide.
What is the SMILES notation for N-[1-(2-chloroanilino)-1-oxopropan-2-yl]benzamide?
The canonical SMILES for N-[1-(2-chloroanilino)-1-oxopropan-2-yl]benzamide is CC(NC(=O)c1ccccc1)C(=O)Nc1ccccc1Cl.
What is the InChIKey of N-[1-(2-chloroanilino)-1-oxopropan-2-yl]benzamide?
The InChIKey is LBYVVKOKQWXDFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2O2/c1-11(18-16(21)12-7-3-2-4-8-12)15(20)19-14-10-6-5-9-13(14)17/h2-11H,1H3,(H,18,21)(H,19,20).
What are the key properties of N-[1-(2-chloroanilino)-1-oxopropan-2-yl]benzamide?
N-[1-(2-chloroanilino)-1-oxopropan-2-yl]benzamide has a molecular weight of 302.76 g/mol, XLogP of 3.10, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-chloroanilino)-1-oxopropan-2-yl]benzamide is sourced from PubChem (CID 46756229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).