N-(2-chloro-1-phenylethyl)-3-hydroxy-2-methylbenzamide

C16H16ClNO2 — CID 82830175

IUPACN-(2-chloro-1-phenylethyl)-3-hydroxy-2-methylbenzamide
SMILESCc1c(O)cccc1C(=O)NC(CCl)c1ccccc1
InChIInChI=1S/C16H16ClNO2/c1-11-13(8-5-9-15(11)19)16(20)18-14(10-17)12-6-3-2-4-7-12/h2-9,14,19H,10H2,1H3,(H,18,20)
InChIKeyUWEZVTJZONRBDM-UHFFFAOYSA-N
MW289.76 g/mol
LogP3.41
Rot. Bonds4

About N-(2-chloro-1-phenylethyl)-3-hydroxy-2-methylbenzamide

N-(2-chloro-1-phenylethyl)-3-hydroxy-2-methylbenzamide (PubChem CID 82830175) has the molecular formula C16H16ClNO2 and a molecular weight of 289.76 g/mol. Its IUPAC name is N-(2-chloro-1-phenylethyl)-3-hydroxy-2-methylbenzamide.

Molecular Properties

Compound NameN-(2-chloro-1-phenylethyl)-3-hydroxy-2-methylbenzamide
PubChem CID82830175
Molecular FormulaC16H16ClNO2
Molecular Weight289.76 g/mol
Exact Mass289.09
IUPAC NameN-(2-chloro-1-phenylethyl)-3-hydroxy-2-methylbenzamide
SMILESCc1c(O)cccc1C(=O)NC(CCl)c1ccccc1
InChIInChI=1S/C16H16ClNO2/c1-11-13(8-5-9-15(11)19)16(20)18-14(10-17)12-6-3-2-4-7-12/h2-9,14,19H,10H2,1H3,(H,18,20)
InChIKeyUWEZVTJZONRBDM-UHFFFAOYSA-N
XLogP3.41
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.76
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze N-(2-chloro-1-phenylethyl)-3-hydroxy-2-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-(2-chloro-1-phenylethyl)-2-ethylbenzamide
CID 114300081
N-(2-chloro-1-phenylethyl)-2,4-dihydroxybenzamide
CID 107725945
N-(2-chloro-1-phenylethyl)-2-methoxybenzamide
CID 114300240
2-chloro-N-(2-chloro-1-phenylethyl)-4-methylbenzamide
CID 106863896
N-(2-chloro-1-phenylethyl)-2-ethoxybenzamide
CID 114300243
N-(2-chloro-1-phenylethyl)-2-fluoro-4-methylbenzamide
CID 114300235
3-hydroxy-2-methyl-N-[1-(6-methyl-2-pyridinyl)propyl]benzamide
CID 91760045
N-(2-chloro-1-phenylethyl)-1,5-dimethylpyrazole-4-carboxamide
CID 114300138
N-(2-amino-1-phenyl-2-sulfanylideneethyl)-3-hydroxy-2-methylbenzamide
CID 82809158
N-(1-chloro-3-methoxypropan-2-yl)-3-hydroxy-2-methylbenzamide
CID 106183507
2,5-dichloro-N-(2-chloro-1-phenylethyl)benzamide
CID 114300057
N-[2-(dimethylamino)-1-phenylethyl]-2,3-dimethylbenzamide
CID 78819640

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-1-phenylethyl)-3-hydroxy-2-methylbenzamide?
The IUPAC name of N-(2-chloro-1-phenylethyl)-3-hydroxy-2-methylbenzamide (CID 82830175) is N-(2-chloro-1-phenylethyl)-3-hydroxy-2-methylbenzamide.
What is the SMILES notation for N-(2-chloro-1-phenylethyl)-3-hydroxy-2-methylbenzamide?
The canonical SMILES for N-(2-chloro-1-phenylethyl)-3-hydroxy-2-methylbenzamide is Cc1c(O)cccc1C(=O)NC(CCl)c1ccccc1.
What is the InChIKey of N-(2-chloro-1-phenylethyl)-3-hydroxy-2-methylbenzamide?
The InChIKey is UWEZVTJZONRBDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNO2/c1-11-13(8-5-9-15(11)19)16(20)18-14(10-17)12-6-3-2-4-7-12/h2-9,14,19H,10H2,1H3,(H,18,20).
What are the key properties of N-(2-chloro-1-phenylethyl)-3-hydroxy-2-methylbenzamide?
N-(2-chloro-1-phenylethyl)-3-hydroxy-2-methylbenzamide has a molecular weight of 289.76 g/mol, XLogP of 3.41, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-1-phenylethyl)-3-hydroxy-2-methylbenzamide is sourced from PubChem (CID 82830175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).