N-(3-chloro-4-methylphenyl)-3-(2-methylpropanoylamino)benzamide

C18H19ClN2O2 — CID 2937599

IUPACN-(3-chloro-4-methylphenyl)-3-(2-methylpropanoylamino)benzamide
SMILESCc1ccc(NC(=O)c2cccc(NC(=O)C(C)C)c2)cc1Cl
InChIInChI=1S/C18H19ClN2O2/c1-11(2)17(22)20-14-6-4-5-13(9-14)18(23)21-15-8-7-12(3)16(19)10-15/h4-11H,1-3H3,(H,20,22)(H,21,23)
InChIKeyJBXXUDJZFURPFK-UHFFFAOYSA-N
MW330.82 g/mol
LogP4.50
Rot. Bonds4

About N-(3-chloro-4-methylphenyl)-3-(2-methylpropanoylamino)benzamide

N-(3-chloro-4-methylphenyl)-3-(2-methylpropanoylamino)benzamide (PubChem CID 2937599) has the molecular formula C18H19ClN2O2 and a molecular weight of 330.82 g/mol. Its IUPAC name is N-(3-chloro-4-methylphenyl)-3-(2-methylpropanoylamino)benzamide.

Molecular Properties

Compound NameN-(3-chloro-4-methylphenyl)-3-(2-methylpropanoylamino)benzamide
PubChem CID2937599
Molecular FormulaC18H19ClN2O2
Molecular Weight330.82 g/mol
Exact Mass330.11
IUPAC NameN-(3-chloro-4-methylphenyl)-3-(2-methylpropanoylamino)benzamide
SMILESCc1ccc(NC(=O)c2cccc(NC(=O)C(C)C)c2)cc1Cl
InChIInChI=1S/C18H19ClN2O2/c1-11(2)17(22)20-14-6-4-5-13(9-14)18(23)21-15-8-7-12(3)16(19)10-15/h4-11H,1-3H3,(H,20,22)(H,21,23)
InChIKeyJBXXUDJZFURPFK-UHFFFAOYSA-N
XLogP4.50
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.82
LogP ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-(3-chloro-4-methylphenyl)-3-(2-methylpropanoylamino)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-chloro-4-methylphenyl)-3-methylbenzamide
CID 710448
N-(4-iodophenyl)-3-(2-methylpropanoylamino)benzamide
CID 3737754
3-chloro-N-[2-methyl-5-(2-methylpropanoylamino)phenyl]benzamide
CID 46485899
N-(4-fluorophenyl)-3-(2-methylpropanoylamino)benzamide
CID 889139
N-(3-chloro-4-methylphenyl)-3-(cyclopropanecarbonylamino)benzamide
CID 37032402
N-(2,5-dichlorophenyl)-3-(2-methylpropanoylamino)benzamide
CID 3389767
3-chloro-N-[3-(1-hydroxyethyl)phenyl]-4-methylbenzamide
CID 91676950
N-(3-chloro-4-methylphenyl)-3-(ethylsulfonylamino)benzamide
CID 36805136
3-(benzenesulfonamido)-N-(3-chloro-4-methylphenyl)benzamide
CID 9412716
N-[2-methyl-5-(2-methylpropanoylamino)phenyl]-3-(propanoylamino)benzamide
CID 55840659
N-(3-carbamothioylphenyl)-3-chloro-4-methylbenzamide
CID 63195318
N-[1-(3-chloro-4-methylanilino)-1-oxopropan-2-yl]benzamide
CID 24638933

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methylphenyl)-3-(2-methylpropanoylamino)benzamide?
The IUPAC name of N-(3-chloro-4-methylphenyl)-3-(2-methylpropanoylamino)benzamide (CID 2937599) is N-(3-chloro-4-methylphenyl)-3-(2-methylpropanoylamino)benzamide.
What is the SMILES notation for N-(3-chloro-4-methylphenyl)-3-(2-methylpropanoylamino)benzamide?
The canonical SMILES for N-(3-chloro-4-methylphenyl)-3-(2-methylpropanoylamino)benzamide is Cc1ccc(NC(=O)c2cccc(NC(=O)C(C)C)c2)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methylphenyl)-3-(2-methylpropanoylamino)benzamide?
The InChIKey is JBXXUDJZFURPFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O2/c1-11(2)17(22)20-14-6-4-5-13(9-14)18(23)21-15-8-7-12(3)16(19)10-15/h4-11H,1-3H3,(H,20,22)(H,21,23).
What are the key properties of N-(3-chloro-4-methylphenyl)-3-(2-methylpropanoylamino)benzamide?
N-(3-chloro-4-methylphenyl)-3-(2-methylpropanoylamino)benzamide has a molecular weight of 330.82 g/mol, XLogP of 4.50, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methylphenyl)-3-(2-methylpropanoylamino)benzamide is sourced from PubChem (CID 2937599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).