N-[2-(2-chlorophenyl)-2-hydroxyethyl]-3-(3-hydroxy-3-methylbutyl)benzamide

C20H24ClNO3 — CID 70705386

IUPACN-[2-(2-chlorophenyl)-2-hydroxyethyl]-3-(3-hydroxy-3-methylbutyl)benzamide
SMILESCC(C)(O)CCc1cccc(C(=O)NCC(O)c2ccccc2Cl)c1
InChIInChI=1S/C20H24ClNO3/c1-20(2,25)11-10-14-6-5-7-15(12-14)19(24)22-13-18(23)16-8-3-4-9-17(16)21/h3-9,12,18,23,25H,10-11,13H2,1-2H3,(H,22,24)
InChIKeyQIYLLVMLSLTFOB-UHFFFAOYSA-N
MW361.87 g/mol
LogP3.51
Rot. Bonds7

About N-[2-(2-chlorophenyl)-2-hydroxyethyl]-3-(3-hydroxy-3-methylbutyl)benzamide

N-[2-(2-chlorophenyl)-2-hydroxyethyl]-3-(3-hydroxy-3-methylbutyl)benzamide (PubChem CID 70705386) has the molecular formula C20H24ClNO3 and a molecular weight of 361.87 g/mol. Its IUPAC name is N-[2-(2-chlorophenyl)-2-hydroxyethyl]-3-(3-hydroxy-3-methylbutyl)benzamide.

Molecular Properties

Compound NameN-[2-(2-chlorophenyl)-2-hydroxyethyl]-3-(3-hydroxy-3-methylbutyl)benzamide
PubChem CID70705386
Molecular FormulaC20H24ClNO3
Molecular Weight361.87 g/mol
Exact Mass361.14
IUPAC NameN-[2-(2-chlorophenyl)-2-hydroxyethyl]-3-(3-hydroxy-3-methylbutyl)benzamide
SMILESCC(C)(O)CCc1cccc(C(=O)NCC(O)c2ccccc2Cl)c1
InChIInChI=1S/C20H24ClNO3/c1-20(2,25)11-10-14-6-5-7-15(12-14)19(24)22-13-18(23)16-8-3-4-9-17(16)21/h3-9,12,18,23,25H,10-11,13H2,1-2H3,(H,22,24)
InChIKeyQIYLLVMLSLTFOB-UHFFFAOYSA-N
XLogP3.51
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.87
LogP ≤ 53.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chlorophenyl)-2-hydroxyethyl]-3-(3-hydroxy-3-methylbutyl)benzamide?
The IUPAC name of N-[2-(2-chlorophenyl)-2-hydroxyethyl]-3-(3-hydroxy-3-methylbutyl)benzamide (CID 70705386) is N-[2-(2-chlorophenyl)-2-hydroxyethyl]-3-(3-hydroxy-3-methylbutyl)benzamide.
What is the SMILES notation for N-[2-(2-chlorophenyl)-2-hydroxyethyl]-3-(3-hydroxy-3-methylbutyl)benzamide?
The canonical SMILES for N-[2-(2-chlorophenyl)-2-hydroxyethyl]-3-(3-hydroxy-3-methylbutyl)benzamide is CC(C)(O)CCc1cccc(C(=O)NCC(O)c2ccccc2Cl)c1.
What is the InChIKey of N-[2-(2-chlorophenyl)-2-hydroxyethyl]-3-(3-hydroxy-3-methylbutyl)benzamide?
The InChIKey is QIYLLVMLSLTFOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClNO3/c1-20(2,25)11-10-14-6-5-7-15(12-14)19(24)22-13-18(23)16-8-3-4-9-17(16)21/h3-9,12,18,23,25H,10-11,13H2,1-2H3,(H,22,24).
What are the key properties of N-[2-(2-chlorophenyl)-2-hydroxyethyl]-3-(3-hydroxy-3-methylbutyl)benzamide?
N-[2-(2-chlorophenyl)-2-hydroxyethyl]-3-(3-hydroxy-3-methylbutyl)benzamide has a molecular weight of 361.87 g/mol, XLogP of 3.51, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-chlorophenyl)-2-hydroxyethyl]-3-(3-hydroxy-3-methylbutyl)benzamide is sourced from PubChem (CID 70705386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).