N-(5-chloro-2-methylphenyl)-3-(propanoylamino)benzamide

C17H17ClN2O2 — CID 17309672

IUPACN-(5-chloro-2-methylphenyl)-3-(propanoylamino)benzamide
SMILESCCC(=O)Nc1cccc(C(=O)Nc2cc(Cl)ccc2C)c1
InChIInChI=1S/C17H17ClN2O2/c1-3-16(21)19-14-6-4-5-12(9-14)17(22)20-15-10-13(18)8-7-11(15)2/h4-10H,3H2,1-2H3,(H,19,21)(H,20,22)
InChIKeySWSNSOXPTVDFLD-UHFFFAOYSA-N
MW316.79 g/mol
LogP4.25
Rot. Bonds4

About N-(5-chloro-2-methylphenyl)-3-(propanoylamino)benzamide

N-(5-chloro-2-methylphenyl)-3-(propanoylamino)benzamide (PubChem CID 17309672) has the molecular formula C17H17ClN2O2 and a molecular weight of 316.79 g/mol. Its IUPAC name is N-(5-chloro-2-methylphenyl)-3-(propanoylamino)benzamide.

Molecular Properties

Compound NameN-(5-chloro-2-methylphenyl)-3-(propanoylamino)benzamide
PubChem CID17309672
Molecular FormulaC17H17ClN2O2
Molecular Weight316.79 g/mol
Exact Mass316.10
IUPAC NameN-(5-chloro-2-methylphenyl)-3-(propanoylamino)benzamide
SMILESCCC(=O)Nc1cccc(C(=O)Nc2cc(Cl)ccc2C)c1
InChIInChI=1S/C17H17ClN2O2/c1-3-16(21)19-14-6-4-5-12(9-14)17(22)20-15-10-13(18)8-7-11(15)2/h4-10H,3H2,1-2H3,(H,19,21)(H,20,22)
InChIKeySWSNSOXPTVDFLD-UHFFFAOYSA-N
XLogP4.25
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 ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-methyl-5-(2-methylpropanoylamino)phenyl]-3-(propanoylamino)benzamide
CID 55840659
N-[3-[[2-(5-chloro-2-methylanilino)acetyl]amino]phenyl]propanamide
CID 54819153
N-(5-chloro-2-methylphenyl)-3-methylbenzamide
CID 686530
N-butan-2-yl-3-[[2-(5-chloro-2-methylanilino)acetyl]amino]benzamide
CID 54819366
3-[[2-(5-chloro-2-methylanilino)-2-oxoethyl]amino]-N-ethylbenzamide
CID 54837717
3-benzamido-4-methyl-N-[4-(propanoylamino)phenyl]benzamide
CID 55788298
3,5-dichloro-N-[4-[[2-methyl-5-(propanoylamino)phenyl]carbamoyl]phenyl]benzamide
CID 55724997
N-naphthalen-1-yl-3-(propanoylamino)benzamide
CID 51179801
3-[[2-(5-chloro-2-methylanilino)acetyl]amino]-N-(3-methoxypropyl)benzamide
CID 54819393
N-(5-chloro-2-methylphenyl)-3-cyanobenzamide
CID 7719573
1-N-(5-chloro-2-methylphenyl)-3-N-cyclopropylbenzene-1,3-dicarboxamide
CID 109050783
N-(4-acetamidophenyl)-3-(propanoylamino)benzamide
CID 17309669

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methylphenyl)-3-(propanoylamino)benzamide?
The IUPAC name of N-(5-chloro-2-methylphenyl)-3-(propanoylamino)benzamide (CID 17309672) is N-(5-chloro-2-methylphenyl)-3-(propanoylamino)benzamide.
What is the SMILES notation for N-(5-chloro-2-methylphenyl)-3-(propanoylamino)benzamide?
The canonical SMILES for N-(5-chloro-2-methylphenyl)-3-(propanoylamino)benzamide is CCC(=O)Nc1cccc(C(=O)Nc2cc(Cl)ccc2C)c1.
What is the InChIKey of N-(5-chloro-2-methylphenyl)-3-(propanoylamino)benzamide?
The InChIKey is SWSNSOXPTVDFLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2O2/c1-3-16(21)19-14-6-4-5-12(9-14)17(22)20-15-10-13(18)8-7-11(15)2/h4-10H,3H2,1-2H3,(H,19,21)(H,20,22).
What are the key properties of N-(5-chloro-2-methylphenyl)-3-(propanoylamino)benzamide?
N-(5-chloro-2-methylphenyl)-3-(propanoylamino)benzamide has a molecular weight of 316.79 g/mol, XLogP of 4.25, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methylphenyl)-3-(propanoylamino)benzamide is sourced from PubChem (CID 17309672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).