4-chloro-N-[4-[ethenyl(ethyl)amino]-3-methylphenyl]benzamide

C18H19ClN2O — CID 143193165

IUPAC4-chloro-N-[4-[ethenyl(ethyl)amino]-3-methylphenyl]benzamide
SMILESC=CN(CC)c1ccc(NC(=O)c2ccc(Cl)cc2)cc1C
InChIInChI=1S/C18H19ClN2O/c1-4-21(5-2)17-11-10-16(12-13(17)3)20-18(22)14-6-8-15(19)9-7-14/h4,6-12H,1,5H2,2-3H3,(H,20,22)
InChIKeyXMLFFVADTIQFLL-UHFFFAOYSA-N
MW314.82 g/mol
LogP4.87
Rot. Bonds5

About 4-chloro-N-[4-[ethenyl(ethyl)amino]-3-methylphenyl]benzamide

4-chloro-N-[4-[ethenyl(ethyl)amino]-3-methylphenyl]benzamide (PubChem CID 143193165) has the molecular formula C18H19ClN2O and a molecular weight of 314.82 g/mol. Its IUPAC name is 4-chloro-N-[4-[ethenyl(ethyl)amino]-3-methylphenyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[4-[ethenyl(ethyl)amino]-3-methylphenyl]benzamide
PubChem CID143193165
Molecular FormulaC18H19ClN2O
Molecular Weight314.82 g/mol
Exact Mass314.12
IUPAC Name4-chloro-N-[4-[ethenyl(ethyl)amino]-3-methylphenyl]benzamide
SMILESC=CN(CC)c1ccc(NC(=O)c2ccc(Cl)cc2)cc1C
InChIInChI=1S/C18H19ClN2O/c1-4-21(5-2)17-11-10-16(12-13(17)3)20-18(22)14-6-8-15(19)9-7-14/h4,6-12H,1,5H2,2-3H3,(H,20,22)
InChIKeyXMLFFVADTIQFLL-UHFFFAOYSA-N
XLogP4.87
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.82
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-chloro-N-[4-[ethenyl(ethyl)amino]-3-methylphenyl]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-amino-4-(diethylamino)phenyl]-4-chlorobenzamide
CID 91676407
4-chloro-N-[4-[(4-chlorobenzoyl)amino]-3-methylphenyl]benzamide
CID 27042156
4-chloro-N-(4-iodo-3-methylphenyl)benzamide
CID 587314
N-(4-benzamido-3-methylphenyl)-4-chlorobenzamide
CID 1365594
4-chloro-N-(3-methyl-4-sulfamoylphenyl)benzamide
CID 43246597
4-chloro-N-[4-(prop-2-enoylamino)phenyl]benzamide
CID 166410938
N-(4-chlorophenyl)-4-(ethylsulfonylamino)benzamide
CID 92643113
5-[(4-chlorobenzoyl)amino]-2-methylbenzenesulfonic acid
CID 139946842
5-[(4-chlorobenzoyl)amino]-2-(diethylamino)benzoic acid;2,2,2-trifluoroacetic acid
CID 146060792
5-[(4-chlorobenzoyl)amino]-2-(dimethylamino)-N-propylbenzamide
CID 3943330
N-(3,4-dimethylphenyl)-4-prop-2-enoxybenzamide
CID 4778952
N-[3-(3-aminopropanoylamino)-4-methylphenyl]-4-chlorobenzamide
CID 82034507

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[4-[ethenyl(ethyl)amino]-3-methylphenyl]benzamide?
The IUPAC name of 4-chloro-N-[4-[ethenyl(ethyl)amino]-3-methylphenyl]benzamide (CID 143193165) is 4-chloro-N-[4-[ethenyl(ethyl)amino]-3-methylphenyl]benzamide.
What is the SMILES notation for 4-chloro-N-[4-[ethenyl(ethyl)amino]-3-methylphenyl]benzamide?
The canonical SMILES for 4-chloro-N-[4-[ethenyl(ethyl)amino]-3-methylphenyl]benzamide is C=CN(CC)c1ccc(NC(=O)c2ccc(Cl)cc2)cc1C.
What is the InChIKey of 4-chloro-N-[4-[ethenyl(ethyl)amino]-3-methylphenyl]benzamide?
The InChIKey is XMLFFVADTIQFLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O/c1-4-21(5-2)17-11-10-16(12-13(17)3)20-18(22)14-6-8-15(19)9-7-14/h4,6-12H,1,5H2,2-3H3,(H,20,22).
What are the key properties of 4-chloro-N-[4-[ethenyl(ethyl)amino]-3-methylphenyl]benzamide?
4-chloro-N-[4-[ethenyl(ethyl)amino]-3-methylphenyl]benzamide has a molecular weight of 314.82 g/mol, XLogP of 4.87, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[4-[ethenyl(ethyl)amino]-3-methylphenyl]benzamide is sourced from PubChem (CID 143193165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).