3-chloro-N-[2-(4-chlorophenyl)-2-hydroxyethyl]benzamide

C15H13Cl2NO2 — CID 42947632

IUPAC3-chloro-N-[2-(4-chlorophenyl)-2-hydroxyethyl]benzamide
SMILESO=C(NCC(O)c1ccc(Cl)cc1)c1cccc(Cl)c1
InChIInChI=1S/C15H13Cl2NO2/c16-12-6-4-10(5-7-12)14(19)9-18-15(20)11-2-1-3-13(17)8-11/h1-8,14,19H,9H2,(H,18,20)
InChIKeyZDSAZFQNECUNBS-UHFFFAOYSA-N
MW310.18 g/mol
LogP3.46
Rot. Bonds4

About 3-chloro-N-[2-(4-chlorophenyl)-2-hydroxyethyl]benzamide

3-chloro-N-[2-(4-chlorophenyl)-2-hydroxyethyl]benzamide (PubChem CID 42947632) has the molecular formula C15H13Cl2NO2 and a molecular weight of 310.18 g/mol. Its IUPAC name is 3-chloro-N-[2-(4-chlorophenyl)-2-hydroxyethyl]benzamide.

Molecular Properties

Compound Name3-chloro-N-[2-(4-chlorophenyl)-2-hydroxyethyl]benzamide
PubChem CID42947632
Molecular FormulaC15H13Cl2NO2
Molecular Weight310.18 g/mol
Exact Mass309.03
IUPAC Name3-chloro-N-[2-(4-chlorophenyl)-2-hydroxyethyl]benzamide
SMILESO=C(NCC(O)c1ccc(Cl)cc1)c1cccc(Cl)c1
InChIInChI=1S/C15H13Cl2NO2/c16-12-6-4-10(5-7-12)14(19)9-18-15(20)11-2-1-3-13(17)8-11/h1-8,14,19H,9H2,(H,18,20)
InChIKeyZDSAZFQNECUNBS-UHFFFAOYSA-N
XLogP3.46
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.18
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-N-[2-(4-chlorophenyl)-2-hydroxyethyl]benzamide
CID 110885428
3-chloro-N-[2-(2-fluorophenyl)-2-hydroxyethyl]benzamide
CID 111566265
3-chloro-N-(2-hydroxy-2-thiophen-2-ylethyl)benzamide
CID 71683855
N-[(2S)-2-(4-chlorophenyl)-2-hydroxyethyl]-2-oxo-1H-pyridine-4-carboxamide
CID 138042614
3-chloro-N-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-hydroxyethyl]benzamide
CID 90580722
4-chloro-N-[2-(4-chlorophenyl)-2-hydroxyethyl]-2-fluorobenzamide
CID 167783306
N-[(2S)-2-(3-chlorophenyl)-2-hydroxyethyl]pyridine-4-carboxamide
CID 51725997
N-[2-(4-chlorophenyl)-2-hydroxyethyl]-3,5-dimethoxybenzamide
CID 47022575
N-[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]pyridine-4-carboxamide
CID 51725998
4-chloro-N-[2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]benzamide
CID 90581781
N-[(2S)-2-hydroxy-2-phenylethyl]benzamide
CID 6542363
3-chloro-N-[2-[(4-propan-2-ylbenzoyl)amino]ethyl]benzamide
CID 108571437

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[2-(4-chlorophenyl)-2-hydroxyethyl]benzamide?
The IUPAC name of 3-chloro-N-[2-(4-chlorophenyl)-2-hydroxyethyl]benzamide (CID 42947632) is 3-chloro-N-[2-(4-chlorophenyl)-2-hydroxyethyl]benzamide.
What is the SMILES notation for 3-chloro-N-[2-(4-chlorophenyl)-2-hydroxyethyl]benzamide?
The canonical SMILES for 3-chloro-N-[2-(4-chlorophenyl)-2-hydroxyethyl]benzamide is O=C(NCC(O)c1ccc(Cl)cc1)c1cccc(Cl)c1.
What is the InChIKey of 3-chloro-N-[2-(4-chlorophenyl)-2-hydroxyethyl]benzamide?
The InChIKey is ZDSAZFQNECUNBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl2NO2/c16-12-6-4-10(5-7-12)14(19)9-18-15(20)11-2-1-3-13(17)8-11/h1-8,14,19H,9H2,(H,18,20).
What are the key properties of 3-chloro-N-[2-(4-chlorophenyl)-2-hydroxyethyl]benzamide?
3-chloro-N-[2-(4-chlorophenyl)-2-hydroxyethyl]benzamide has a molecular weight of 310.18 g/mol, XLogP of 3.46, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[2-(4-chlorophenyl)-2-hydroxyethyl]benzamide is sourced from PubChem (CID 42947632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).