5-chloro-2-[3-(4-methylphenyl)propanoylamino]benzamide

C17H17ClN2O2 — CID 75417297

IUPAC5-chloro-2-[3-(4-methylphenyl)propanoylamino]benzamide
SMILESCc1ccc(CCC(=O)Nc2ccc(Cl)cc2C(N)=O)cc1
InChIInChI=1S/C17H17ClN2O2/c1-11-2-4-12(5-3-11)6-9-16(21)20-15-8-7-13(18)10-14(15)17(19)22/h2-5,7-8,10H,6,9H2,1H3,(H2,19,22)(H,20,21)
InChIKeyGVVYAIVBMHRILU-UHFFFAOYSA-N
MW316.79 g/mol
LogP3.32
Rot. Bonds5

About 5-chloro-2-[3-(4-methylphenyl)propanoylamino]benzamide

5-chloro-2-[3-(4-methylphenyl)propanoylamino]benzamide (PubChem CID 75417297) has the molecular formula C17H17ClN2O2 and a molecular weight of 316.79 g/mol. Its IUPAC name is 5-chloro-2-[3-(4-methylphenyl)propanoylamino]benzamide.

Molecular Properties

Compound Name5-chloro-2-[3-(4-methylphenyl)propanoylamino]benzamide
PubChem CID75417297
Molecular FormulaC17H17ClN2O2
Molecular Weight316.79 g/mol
Exact Mass316.10
IUPAC Name5-chloro-2-[3-(4-methylphenyl)propanoylamino]benzamide
SMILESCc1ccc(CCC(=O)Nc2ccc(Cl)cc2C(N)=O)cc1
InChIInChI=1S/C17H17ClN2O2/c1-11-2-4-12(5-3-11)6-9-16(21)20-15-8-7-13(18)10-14(15)17(19)22/h2-5,7-8,10H,6,9H2,1H3,(H2,19,22)(H,20,21)
InChIKeyGVVYAIVBMHRILU-UHFFFAOYSA-N
XLogP3.32
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.79
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-bromo-5-chlorophenyl)-3-(4-methylphenyl)propanamide
CID 81272017
5-chloro-2-[(4-methylbenzoyl)amino]benzamide
CID 46934109
5-chloro-2-[3-(4-methoxyphenyl)propanoylamino]benzoic acid
CID 141008038
methyl 5-chloro-2-(3-phenylpropanoylamino)benzoate
CID 171988189
N-[2-[(2-aminoacetyl)amino]-4-methylphenyl]-3-(4-methylphenyl)propanamide
CID 39185832
5-chloro-2-[3-[4-(trifluoromethyl)phenyl]propanoylamino]benzoic acid
CID 141007949
5-chloro-2-[3-(prop-2-enoylamino)propanoylamino]benzamide
CID 166413380
3-methyl-4-[3-(4-methylphenyl)propanoylamino]benzoic acid
CID 17341392
N-[2-[(2-aminoacetyl)amino]-4-fluorophenyl]-3-(4-methylphenyl)propanamide
CID 39184050
N,3-bis(4-methylphenyl)propanamide
CID 19220434
5-chloro-2-(1,2,2-tricyanoethenylamino)benzamide
CID 168610806
2-(3-aminopropanoylamino)-5-chloro-N-methylbenzamide
CID 119284267

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[3-(4-methylphenyl)propanoylamino]benzamide?
The IUPAC name of 5-chloro-2-[3-(4-methylphenyl)propanoylamino]benzamide (CID 75417297) is 5-chloro-2-[3-(4-methylphenyl)propanoylamino]benzamide.
What is the SMILES notation for 5-chloro-2-[3-(4-methylphenyl)propanoylamino]benzamide?
The canonical SMILES for 5-chloro-2-[3-(4-methylphenyl)propanoylamino]benzamide is Cc1ccc(CCC(=O)Nc2ccc(Cl)cc2C(N)=O)cc1.
What is the InChIKey of 5-chloro-2-[3-(4-methylphenyl)propanoylamino]benzamide?
The InChIKey is GVVYAIVBMHRILU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2O2/c1-11-2-4-12(5-3-11)6-9-16(21)20-15-8-7-13(18)10-14(15)17(19)22/h2-5,7-8,10H,6,9H2,1H3,(H2,19,22)(H,20,21).
What are the key properties of 5-chloro-2-[3-(4-methylphenyl)propanoylamino]benzamide?
5-chloro-2-[3-(4-methylphenyl)propanoylamino]benzamide has a molecular weight of 316.79 g/mol, XLogP of 3.32, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[3-(4-methylphenyl)propanoylamino]benzamide is sourced from PubChem (CID 75417297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).