N-[1-(3-chloro-4-methylanilino)-1-oxopropan-2-yl]benzamide

C17H17ClN2O2 — CID 24638933

IUPACN-[1-(3-chloro-4-methylanilino)-1-oxopropan-2-yl]benzamide
SMILESCc1ccc(NC(=O)C(C)NC(=O)c2ccccc2)cc1Cl
InChIInChI=1S/C17H17ClN2O2/c1-11-8-9-14(10-15(11)18)20-16(21)12(2)19-17(22)13-6-4-3-5-7-13/h3-10,12H,1-2H3,(H,19,22)(H,20,21)
InChIKeyVAVAVDIOKUNVFX-UHFFFAOYSA-N
MW316.79 g/mol
LogP3.41
Rot. Bonds4

About N-[1-(3-chloro-4-methylanilino)-1-oxopropan-2-yl]benzamide

N-[1-(3-chloro-4-methylanilino)-1-oxopropan-2-yl]benzamide (PubChem CID 24638933) has the molecular formula C17H17ClN2O2 and a molecular weight of 316.79 g/mol. Its IUPAC name is N-[1-(3-chloro-4-methylanilino)-1-oxopropan-2-yl]benzamide.

Molecular Properties

Compound NameN-[1-(3-chloro-4-methylanilino)-1-oxopropan-2-yl]benzamide
PubChem CID24638933
Molecular FormulaC17H17ClN2O2
Molecular Weight316.79 g/mol
Exact Mass316.10
IUPAC NameN-[1-(3-chloro-4-methylanilino)-1-oxopropan-2-yl]benzamide
SMILESCc1ccc(NC(=O)C(C)NC(=O)c2ccccc2)cc1Cl
InChIInChI=1S/C17H17ClN2O2/c1-11-8-9-14(10-15(11)18)20-16(21)12(2)19-17(22)13-6-4-3-5-7-13/h3-10,12H,1-2H3,(H,19,22)(H,20,21)
InChIKeyVAVAVDIOKUNVFX-UHFFFAOYSA-N
XLogP3.41
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.79
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2R)-1-(3-chloro-4-methoxyanilino)-1-oxopropan-2-yl]benzamide
CID 2712885
N-(3-chloro-4-methylphenyl)-3-(2-methylpropanoylamino)benzamide
CID 2937599
N-[1-(2-chloroanilino)-1-oxopropan-2-yl]benzamide
CID 46756229
N-[(2R)-1-(3-fluoroanilino)-1-oxopropan-2-yl]benzamide
CID 51606082
N-[(2S)-1-(3-chloro-4-methylanilino)-3-methyl-1-oxobutan-2-yl]-4-fluorobenzamide
CID 7610613
2-amino-N-(3-chloro-4-methylphenyl)propanamide
CID 24694047
N-(3-chloro-4-methylphenyl)-2-(2-hydroxyethylamino)propanamide
CID 82358486
N-[1-oxo-1-(4-phenoxyanilino)propan-2-yl]benzamide
CID 24639209
N-[(2S)-1-(dibenzofuran-2-ylamino)-1-oxopropan-2-yl]benzamide
CID 8002470
N-[(2S)-1-(methylamino)-1-oxopropan-2-yl]benzamide
CID 68732786
[(1R)-2-(3-chloro-4-methylanilino)-2-oxo-1-phenylethyl]-dimethylazanium
CID 2108164
3-[2-[(4-chlorobenzoyl)amino]propanoylamino]benzamide
CID 112767596

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-chloro-4-methylanilino)-1-oxopropan-2-yl]benzamide?
The IUPAC name of N-[1-(3-chloro-4-methylanilino)-1-oxopropan-2-yl]benzamide (CID 24638933) is N-[1-(3-chloro-4-methylanilino)-1-oxopropan-2-yl]benzamide.
What is the SMILES notation for N-[1-(3-chloro-4-methylanilino)-1-oxopropan-2-yl]benzamide?
The canonical SMILES for N-[1-(3-chloro-4-methylanilino)-1-oxopropan-2-yl]benzamide is Cc1ccc(NC(=O)C(C)NC(=O)c2ccccc2)cc1Cl.
What is the InChIKey of N-[1-(3-chloro-4-methylanilino)-1-oxopropan-2-yl]benzamide?
The InChIKey is VAVAVDIOKUNVFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2O2/c1-11-8-9-14(10-15(11)18)20-16(21)12(2)19-17(22)13-6-4-3-5-7-13/h3-10,12H,1-2H3,(H,19,22)(H,20,21).
What are the key properties of N-[1-(3-chloro-4-methylanilino)-1-oxopropan-2-yl]benzamide?
N-[1-(3-chloro-4-methylanilino)-1-oxopropan-2-yl]benzamide has a molecular weight of 316.79 g/mol, XLogP of 3.41, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-chloro-4-methylanilino)-1-oxopropan-2-yl]benzamide is sourced from PubChem (CID 24638933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).