3-chloro-N-[2-methyl-5-(2-methylpropanoylamino)phenyl]benzamide

C18H19ClN2O2 — CID 46485899

IUPAC3-chloro-N-[2-methyl-5-(2-methylpropanoylamino)phenyl]benzamide
SMILESCc1ccc(NC(=O)C(C)C)cc1NC(=O)c1cccc(Cl)c1
InChIInChI=1S/C18H19ClN2O2/c1-11(2)17(22)20-15-8-7-12(3)16(10-15)21-18(23)13-5-4-6-14(19)9-13/h4-11H,1-3H3,(H,20,22)(H,21,23)
InChIKeyRFPSNKDKHBGCIS-UHFFFAOYSA-N
MW330.82 g/mol
LogP4.50
Rot. Bonds4

About 3-chloro-N-[2-methyl-5-(2-methylpropanoylamino)phenyl]benzamide

3-chloro-N-[2-methyl-5-(2-methylpropanoylamino)phenyl]benzamide (PubChem CID 46485899) has the molecular formula C18H19ClN2O2 and a molecular weight of 330.82 g/mol. Its IUPAC name is 3-chloro-N-[2-methyl-5-(2-methylpropanoylamino)phenyl]benzamide.

Molecular Properties

Compound Name3-chloro-N-[2-methyl-5-(2-methylpropanoylamino)phenyl]benzamide
PubChem CID46485899
Molecular FormulaC18H19ClN2O2
Molecular Weight330.82 g/mol
Exact Mass330.11
IUPAC Name3-chloro-N-[2-methyl-5-(2-methylpropanoylamino)phenyl]benzamide
SMILESCc1ccc(NC(=O)C(C)C)cc1NC(=O)c1cccc(Cl)c1
InChIInChI=1S/C18H19ClN2O2/c1-11(2)17(22)20-15-8-7-12(3)16(10-15)21-18(23)13-5-4-6-14(19)9-13/h4-11H,1-3H3,(H,20,22)(H,21,23)
InChIKeyRFPSNKDKHBGCIS-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

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Related Compounds

N-[2-methyl-5-(2-methylpropanoylamino)phenyl]-3-(propanoylamino)benzamide
CID 55840659
N-[2-methyl-5-(2-methylpropanoylamino)phenyl]-3-phenoxybenzamide
CID 55708450
N-(3-chloro-4-methylphenyl)-3-(2-methylpropanoylamino)benzamide
CID 2937599
N-[4-[[(3-chlorobenzoyl)amino]carbamoyl]phenyl]-2-methylpropanamide
CID 4940345
N-(2,5-dichlorophenyl)-3-(2-methylpropanoylamino)benzamide
CID 3389767
1-(3-chlorophenyl)-N-[2-methyl-5-(2-methylpropanoylamino)phenyl]cyclopropane-1-carboxamide
CID 55764960
3-chloro-N-(4-iodo-3-methylphenyl)benzamide
CID 1340030
3-chloro-N-(5-cyano-2-methylphenyl)benzamide
CID 47475839
N-(5-chloro-2-methylphenyl)-3-methylbenzamide
CID 686530
3,5-dichloro-N-[3-(2-methylpropanoylamino)phenyl]benzamide
CID 17189296
3-chloro-N-(2-methyl-5-sulfamoylphenyl)benzamide
CID 5211673
N-(4-iodophenyl)-3-(2-methylpropanoylamino)benzamide
CID 3737754

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[2-methyl-5-(2-methylpropanoylamino)phenyl]benzamide?
The IUPAC name of 3-chloro-N-[2-methyl-5-(2-methylpropanoylamino)phenyl]benzamide (CID 46485899) is 3-chloro-N-[2-methyl-5-(2-methylpropanoylamino)phenyl]benzamide.
What is the SMILES notation for 3-chloro-N-[2-methyl-5-(2-methylpropanoylamino)phenyl]benzamide?
The canonical SMILES for 3-chloro-N-[2-methyl-5-(2-methylpropanoylamino)phenyl]benzamide is Cc1ccc(NC(=O)C(C)C)cc1NC(=O)c1cccc(Cl)c1.
What is the InChIKey of 3-chloro-N-[2-methyl-5-(2-methylpropanoylamino)phenyl]benzamide?
The InChIKey is RFPSNKDKHBGCIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O2/c1-11(2)17(22)20-15-8-7-12(3)16(10-15)21-18(23)13-5-4-6-14(19)9-13/h4-11H,1-3H3,(H,20,22)(H,21,23).
What are the key properties of 3-chloro-N-[2-methyl-5-(2-methylpropanoylamino)phenyl]benzamide?
3-chloro-N-[2-methyl-5-(2-methylpropanoylamino)phenyl]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 3-chloro-N-[2-methyl-5-(2-methylpropanoylamino)phenyl]benzamide is sourced from PubChem (CID 46485899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).