5-chloro-N-[2-hydroxy-2-(2-methylphenyl)ethyl]-2-methoxybenzamide

C17H18ClNO3 — CID 111120000

IUPAC5-chloro-N-[2-hydroxy-2-(2-methylphenyl)ethyl]-2-methoxybenzamide
SMILESCOc1ccc(Cl)cc1C(=O)NCC(O)c1ccccc1C
InChIInChI=1S/C17H18ClNO3/c1-11-5-3-4-6-13(11)15(20)10-19-17(21)14-9-12(18)7-8-16(14)22-2/h3-9,15,20H,10H2,1-2H3,(H,19,21)
InChIKeyXXETXOZPRNUXOF-UHFFFAOYSA-N
MW319.79 g/mol
LogP3.12
Rot. Bonds5

About 5-chloro-N-[2-hydroxy-2-(2-methylphenyl)ethyl]-2-methoxybenzamide

5-chloro-N-[2-hydroxy-2-(2-methylphenyl)ethyl]-2-methoxybenzamide (PubChem CID 111120000) has the molecular formula C17H18ClNO3 and a molecular weight of 319.79 g/mol. Its IUPAC name is 5-chloro-N-[2-hydroxy-2-(2-methylphenyl)ethyl]-2-methoxybenzamide.

Molecular Properties

Compound Name5-chloro-N-[2-hydroxy-2-(2-methylphenyl)ethyl]-2-methoxybenzamide
PubChem CID111120000
Molecular FormulaC17H18ClNO3
Molecular Weight319.79 g/mol
Exact Mass319.10
IUPAC Name5-chloro-N-[2-hydroxy-2-(2-methylphenyl)ethyl]-2-methoxybenzamide
SMILESCOc1ccc(Cl)cc1C(=O)NCC(O)c1ccccc1C
InChIInChI=1S/C17H18ClNO3/c1-11-5-3-4-6-13(11)15(20)10-19-17(21)14-9-12(18)7-8-16(14)22-2/h3-9,15,20H,10H2,1-2H3,(H,19,21)
InChIKeyXXETXOZPRNUXOF-UHFFFAOYSA-N
XLogP3.12
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.79
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 5-chloro-N-[2-hydroxy-2-(2-methylphenyl)ethyl]-2-methoxybenzamide 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

5-chloro-N-(4-hydroxy-2-methylbutyl)-2-methoxybenzamide
CID 66109284
5-chloro-N-(4-chloro-2-methylbutyl)-2-methoxybenzamide
CID 114306224
2,4-dichloro-N-[2-methoxy-2-(2-methylphenyl)ethyl]benzamide
CID 90598769
5-chloro-N-(2-cyclopentyl-2-hydroxyethyl)-2-methoxybenzamide
CID 111425951
2-methoxy-N-[2-methoxy-2-(2-methylphenyl)ethyl]benzamide
CID 90598704
N-[2-(2-chlorophenyl)-2-hydroxyethyl]-2-fluoro-4-methylbenzamide
CID 111791703
5-chloro-2-methoxy-N-[(4-methylphenyl)methyl]benzamide
CID 2671578
5-chloro-2-methoxy-N-(3-methylbutyl)benzamide
CID 885064
5-chloro-2-methoxy-N-[2-(propan-2-ylamino)ethyl]benzamide
CID 62659575
5-chloro-2-methoxy-N-[2-(2-methoxyphenoxy)ethyl]benzamide
CID 43009457
N-[2-hydroxy-2-(2-methylphenyl)ethyl]-3,5-dimethylbenzamide
CID 111119847
5-chloro-2-methoxy-N'-[2-(2-methylphenoxy)acetyl]benzohydrazide
CID 2709916

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[2-hydroxy-2-(2-methylphenyl)ethyl]-2-methoxybenzamide?
The IUPAC name of 5-chloro-N-[2-hydroxy-2-(2-methylphenyl)ethyl]-2-methoxybenzamide (CID 111120000) is 5-chloro-N-[2-hydroxy-2-(2-methylphenyl)ethyl]-2-methoxybenzamide.
What is the SMILES notation for 5-chloro-N-[2-hydroxy-2-(2-methylphenyl)ethyl]-2-methoxybenzamide?
The canonical SMILES for 5-chloro-N-[2-hydroxy-2-(2-methylphenyl)ethyl]-2-methoxybenzamide is COc1ccc(Cl)cc1C(=O)NCC(O)c1ccccc1C.
What is the InChIKey of 5-chloro-N-[2-hydroxy-2-(2-methylphenyl)ethyl]-2-methoxybenzamide?
The InChIKey is XXETXOZPRNUXOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClNO3/c1-11-5-3-4-6-13(11)15(20)10-19-17(21)14-9-12(18)7-8-16(14)22-2/h3-9,15,20H,10H2,1-2H3,(H,19,21).
What are the key properties of 5-chloro-N-[2-hydroxy-2-(2-methylphenyl)ethyl]-2-methoxybenzamide?
5-chloro-N-[2-hydroxy-2-(2-methylphenyl)ethyl]-2-methoxybenzamide has a molecular weight of 319.79 g/mol, XLogP of 3.12, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[2-hydroxy-2-(2-methylphenyl)ethyl]-2-methoxybenzamide is sourced from PubChem (CID 111120000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).