N-[(2-chlorophenyl)methyl]-N-ethyl-2-hydroxy-5-methylbenzamide

C17H18ClNO2 — CID 112817412

IUPACN-[(2-chlorophenyl)methyl]-N-ethyl-2-hydroxy-5-methylbenzamide
SMILESCCN(Cc1ccccc1Cl)C(=O)c1cc(C)ccc1O
InChIInChI=1S/C17H18ClNO2/c1-3-19(11-13-6-4-5-7-15(13)18)17(21)14-10-12(2)8-9-16(14)20/h4-10,20H,3,11H2,1-2H3
InChIKeyCBFVXYHDGGJJIP-UHFFFAOYSA-N
MW303.79 g/mol
LogP4.02
Rot. Bonds4

About N-[(2-chlorophenyl)methyl]-N-ethyl-2-hydroxy-5-methylbenzamide

N-[(2-chlorophenyl)methyl]-N-ethyl-2-hydroxy-5-methylbenzamide (PubChem CID 112817412) has the molecular formula C17H18ClNO2 and a molecular weight of 303.79 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-N-ethyl-2-hydroxy-5-methylbenzamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-N-ethyl-2-hydroxy-5-methylbenzamide
PubChem CID112817412
Molecular FormulaC17H18ClNO2
Molecular Weight303.79 g/mol
Exact Mass303.10
IUPAC NameN-[(2-chlorophenyl)methyl]-N-ethyl-2-hydroxy-5-methylbenzamide
SMILESCCN(Cc1ccccc1Cl)C(=O)c1cc(C)ccc1O
InChIInChI=1S/C17H18ClNO2/c1-3-19(11-13-6-4-5-7-15(13)18)17(21)14-10-12(2)8-9-16(14)20/h4-10,20H,3,11H2,1-2H3
InChIKeyCBFVXYHDGGJJIP-UHFFFAOYSA-N
XLogP4.02
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.79
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(2-chlorophenyl)methyl]-N-ethyl-2-hydroxy-5-methylbenzamide 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-ethyl-2-hydroxy-4-methyl-N-[(2-methylphenyl)methyl]benzamide
CID 112817397
N-ethyl-2-hydroxy-5-methyl-N-(thiophen-2-ylmethyl)benzamide
CID 60655389
N-[(4-aminophenyl)methyl]-N-ethyl-2-hydroxy-5-methylbenzamide
CID 43458696
4,5-dichloro-N-[(2-chlorophenyl)methyl]-N-ethyl-1H-pyrrole-2-carboxamide
CID 78853144
2-[ethyl-(2-hydroxy-5-methylbenzoyl)amino]acetic acid
CID 54901352
4-amino-N-[(2-chlorophenyl)methyl]-N-ethyl-3-hydroxybenzamide
CID 107074472
3-amino-2-chloro-N-[(2-chlorophenyl)methyl]-N-ethylbenzamide
CID 115930313
3-amino-N-[(2-chlorophenyl)methyl]-N-ethylpropanamide
CID 60938834
N-[(2-chlorophenyl)methyl]-5-fluoro-2-hydroxy-N-methylbenzamide
CID 79532591
4-chloro-N-[(2-chlorophenyl)methyl]-N-ethylbutanamide
CID 63308077
N-[(2-chlorophenyl)methyl]-N-ethyl-2,2-difluoroacetamide
CID 103514772
N-(2-aminoethyl)-N-benzyl-2-hydroxy-5-methylbenzamide
CID 61014053

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-N-ethyl-2-hydroxy-5-methylbenzamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-N-ethyl-2-hydroxy-5-methylbenzamide (CID 112817412) is N-[(2-chlorophenyl)methyl]-N-ethyl-2-hydroxy-5-methylbenzamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-N-ethyl-2-hydroxy-5-methylbenzamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-N-ethyl-2-hydroxy-5-methylbenzamide is CCN(Cc1ccccc1Cl)C(=O)c1cc(C)ccc1O.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-N-ethyl-2-hydroxy-5-methylbenzamide?
The InChIKey is CBFVXYHDGGJJIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClNO2/c1-3-19(11-13-6-4-5-7-15(13)18)17(21)14-10-12(2)8-9-16(14)20/h4-10,20H,3,11H2,1-2H3.
What are the key properties of N-[(2-chlorophenyl)methyl]-N-ethyl-2-hydroxy-5-methylbenzamide?
N-[(2-chlorophenyl)methyl]-N-ethyl-2-hydroxy-5-methylbenzamide has a molecular weight of 303.79 g/mol, XLogP of 4.02, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-N-ethyl-2-hydroxy-5-methylbenzamide is sourced from PubChem (CID 112817412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).