3-(3-chlorophenoxy)-N-(2-hydroxy-2-methylpropyl)benzamide

C17H18ClNO3 — CID 173147350

IUPAC3-(3-chlorophenoxy)-N-(2-hydroxy-2-methylpropyl)benzamide
SMILESCC(C)(O)CNC(=O)c1cccc(Oc2cccc(Cl)c2)c1
InChIInChI=1S/C17H18ClNO3/c1-17(2,21)11-19-16(20)12-5-3-7-14(9-12)22-15-8-4-6-13(18)10-15/h3-10,21H,11H2,1-2H3,(H,19,20)
InChIKeyORVVYGAMRCCXER-UHFFFAOYSA-N
MW319.79 g/mol
LogP3.63
Rot. Bonds5

About 3-(3-chlorophenoxy)-N-(2-hydroxy-2-methylpropyl)benzamide

3-(3-chlorophenoxy)-N-(2-hydroxy-2-methylpropyl)benzamide (PubChem CID 173147350) has the molecular formula C17H18ClNO3 and a molecular weight of 319.79 g/mol. Its IUPAC name is 3-(3-chlorophenoxy)-N-(2-hydroxy-2-methylpropyl)benzamide.

Molecular Properties

Compound Name3-(3-chlorophenoxy)-N-(2-hydroxy-2-methylpropyl)benzamide
PubChem CID173147350
Molecular FormulaC17H18ClNO3
Molecular Weight319.79 g/mol
Exact Mass319.10
IUPAC Name3-(3-chlorophenoxy)-N-(2-hydroxy-2-methylpropyl)benzamide
SMILESCC(C)(O)CNC(=O)c1cccc(Oc2cccc(Cl)c2)c1
InChIInChI=1S/C17H18ClNO3/c1-17(2,21)11-19-16(20)12-5-3-7-14(9-12)22-15-8-4-6-13(18)10-15/h3-10,21H,11H2,1-2H3,(H,19,20)
InChIKeyORVVYGAMRCCXER-UHFFFAOYSA-N
XLogP3.63
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 ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-N-[2-(4-chlorophenyl)-2-hydroxypropyl]benzamide
CID 110291527
3-ethoxy-N-(2-hydroxy-2,3-dimethylbutyl)benzamide
CID 111484140
N-(4-bromo-2,2-dimethylbutyl)-3-chlorobenzamide
CID 106143855
tert-butyl N-[4-[(3-chlorobenzoyl)amino]butyl]carbamate
CID 139824741
3-chloro-N-(2-hydroxy-2-methyl-4-methylsulfanylbutyl)benzamide
CID 71787281
3-(2,5-dichlorophenoxy)-N-ethylbenzamide
CID 12941782
N-[2-(3-chlorophenyl)-2-methoxypropyl]-4-phenoxybenzamide
CID 90599957
methyl 2-[(3-chlorobenzoyl)amino]acetate
CID 669189
N-[2-(3-chlorophenyl)-2-methylpropyl]-3-methylbenzamide
CID 110441462
N-[2-(3-chlorophenyl)-2-methoxypropyl]pyridine-3-carboxamide
CID 90599834
N-[2-(bromomethyl)-2-ethylbutyl]-3-chlorobenzamide
CID 106254903
N-(2-hydroxy-2-thiophen-2-ylpropyl)-3-methoxybenzamide
CID 90499769

Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenoxy)-N-(2-hydroxy-2-methylpropyl)benzamide?
The IUPAC name of 3-(3-chlorophenoxy)-N-(2-hydroxy-2-methylpropyl)benzamide (CID 173147350) is 3-(3-chlorophenoxy)-N-(2-hydroxy-2-methylpropyl)benzamide.
What is the SMILES notation for 3-(3-chlorophenoxy)-N-(2-hydroxy-2-methylpropyl)benzamide?
The canonical SMILES for 3-(3-chlorophenoxy)-N-(2-hydroxy-2-methylpropyl)benzamide is CC(C)(O)CNC(=O)c1cccc(Oc2cccc(Cl)c2)c1.
What is the InChIKey of 3-(3-chlorophenoxy)-N-(2-hydroxy-2-methylpropyl)benzamide?
The InChIKey is ORVVYGAMRCCXER-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClNO3/c1-17(2,21)11-19-16(20)12-5-3-7-14(9-12)22-15-8-4-6-13(18)10-15/h3-10,21H,11H2,1-2H3,(H,19,20).
What are the key properties of 3-(3-chlorophenoxy)-N-(2-hydroxy-2-methylpropyl)benzamide?
3-(3-chlorophenoxy)-N-(2-hydroxy-2-methylpropyl)benzamide has a molecular weight of 319.79 g/mol, XLogP of 3.63, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenoxy)-N-(2-hydroxy-2-methylpropyl)benzamide is sourced from PubChem (CID 173147350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).