3-[(3-chloro-4-methylphenyl)methylamino]-N-ethylbenzamide

C17H19ClN2O — CID 106816302

IUPAC3-[(3-chloro-4-methylphenyl)methylamino]-N-ethylbenzamide
SMILESCCNC(=O)c1cccc(NCc2ccc(C)c(Cl)c2)c1
InChIInChI=1S/C17H19ClN2O/c1-3-19-17(21)14-5-4-6-15(10-14)20-11-13-8-7-12(2)16(18)9-13/h4-10,20H,3,11H2,1-2H3,(H,19,21)
InChIKeyIXUKRNPASONYAM-UHFFFAOYSA-N
MW302.81 g/mol
LogP4.01
Rot. Bonds5

About 3-[(3-chloro-4-methylphenyl)methylamino]-N-ethylbenzamide

3-[(3-chloro-4-methylphenyl)methylamino]-N-ethylbenzamide (PubChem CID 106816302) has the molecular formula C17H19ClN2O and a molecular weight of 302.81 g/mol. Its IUPAC name is 3-[(3-chloro-4-methylphenyl)methylamino]-N-ethylbenzamide.

Molecular Properties

Compound Name3-[(3-chloro-4-methylphenyl)methylamino]-N-ethylbenzamide
PubChem CID106816302
Molecular FormulaC17H19ClN2O
Molecular Weight302.81 g/mol
Exact Mass302.12
IUPAC Name3-[(3-chloro-4-methylphenyl)methylamino]-N-ethylbenzamide
SMILESCCNC(=O)c1cccc(NCc2ccc(C)c(Cl)c2)c1
InChIInChI=1S/C17H19ClN2O/c1-3-19-17(21)14-5-4-6-15(10-14)20-11-13-8-7-12(2)16(18)9-13/h4-10,20H,3,11H2,1-2H3,(H,19,21)
InChIKeyIXUKRNPASONYAM-UHFFFAOYSA-N
XLogP4.01
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.81
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 43680774
3-[[2-(5-chloro-2-methylanilino)-2-oxoethyl]amino]-N-ethylbenzamide
CID 54837717
3-[[2-(3-chloro-4-methylanilino)acetyl]amino]-N-propylbenzamide
CID 54815949
3-[(4-fluorophenyl)methylamino]-N-propylbenzamide
CID 43675966
3-[(3-bromo-4-chlorophenyl)methylamino]-N-methylbenzamide
CID 83235615
3-[3-[(3-chloro-4-methylphenyl)methylamino]phenyl]propan-1-ol
CID 106817071
3-[[2-(4-chlorophenyl)acetyl]amino]-N-ethylbenzamide
CID 17230707
N-ethyl-3-(2-methylpropylamino)benzamide
CID 43680721
N-ethyl-3-(prop-2-ynylamino)benzamide
CID 60681699
N-[(3-chloro-4-methylphenyl)methyl]-3-[(dimethylamino)methyl]aniline
CID 106816343

Frequently Asked Questions

What is the IUPAC name of 3-[(3-chloro-4-methylphenyl)methylamino]-N-ethylbenzamide?
The IUPAC name of 3-[(3-chloro-4-methylphenyl)methylamino]-N-ethylbenzamide (CID 106816302) is 3-[(3-chloro-4-methylphenyl)methylamino]-N-ethylbenzamide.
What is the SMILES notation for 3-[(3-chloro-4-methylphenyl)methylamino]-N-ethylbenzamide?
The canonical SMILES for 3-[(3-chloro-4-methylphenyl)methylamino]-N-ethylbenzamide is CCNC(=O)c1cccc(NCc2ccc(C)c(Cl)c2)c1.
What is the InChIKey of 3-[(3-chloro-4-methylphenyl)methylamino]-N-ethylbenzamide?
The InChIKey is IXUKRNPASONYAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O/c1-3-19-17(21)14-5-4-6-15(10-14)20-11-13-8-7-12(2)16(18)9-13/h4-10,20H,3,11H2,1-2H3,(H,19,21).
What are the key properties of 3-[(3-chloro-4-methylphenyl)methylamino]-N-ethylbenzamide?
3-[(3-chloro-4-methylphenyl)methylamino]-N-ethylbenzamide has a molecular weight of 302.81 g/mol, XLogP of 4.01, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-chloro-4-methylphenyl)methylamino]-N-ethylbenzamide is sourced from PubChem (CID 106816302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).