2-chloro-N-[1-(4-chlorophenyl)-2-hydroxyethyl]benzamide

C15H13Cl2NO2 — CID 110004367

IUPAC2-chloro-N-[1-(4-chlorophenyl)-2-hydroxyethyl]benzamide
SMILESO=C(NC(CO)c1ccc(Cl)cc1)c1ccccc1Cl
InChIInChI=1S/C15H13Cl2NO2/c16-11-7-5-10(6-8-11)14(9-19)18-15(20)12-3-1-2-4-13(12)17/h1-8,14,19H,9H2,(H,18,20)
InChIKeyJRMYFAWTRHQYGG-UHFFFAOYSA-N
MW310.18 g/mol
LogP3.46
Rot. Bonds4

About 2-chloro-N-[1-(4-chlorophenyl)-2-hydroxyethyl]benzamide

2-chloro-N-[1-(4-chlorophenyl)-2-hydroxyethyl]benzamide (PubChem CID 110004367) has the molecular formula C15H13Cl2NO2 and a molecular weight of 310.18 g/mol. Its IUPAC name is 2-chloro-N-[1-(4-chlorophenyl)-2-hydroxyethyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[1-(4-chlorophenyl)-2-hydroxyethyl]benzamide
PubChem CID110004367
Molecular FormulaC15H13Cl2NO2
Molecular Weight310.18 g/mol
Exact Mass309.03
IUPAC Name2-chloro-N-[1-(4-chlorophenyl)-2-hydroxyethyl]benzamide
SMILESO=C(NC(CO)c1ccc(Cl)cc1)c1ccccc1Cl
InChIInChI=1S/C15H13Cl2NO2/c16-11-7-5-10(6-8-11)14(9-19)18-15(20)12-3-1-2-4-13(12)17/h1-8,14,19H,9H2,(H,18,20)
InChIKeyJRMYFAWTRHQYGG-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

2-chloro-N-[(1R)-2-hydroxy-1-phenylethyl]benzamide
CID 39374837
2-amino-3-chloro-N-[(1R)-2-hydroxy-1-phenylethyl]benzamide
CID 107861897
4-chloro-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide
CID 1480121
2-fluoro-N-(2-hydroxy-1-phenylethyl)benzamide
CID 3315693
4-chloro-2-hydroxy-N-(2-hydroxy-1-phenylethyl)benzamide
CID 63182530
2-chloro-N-[(1R)-1-(4-chlorophenyl)ethyl]benzamide
CID 8751520
2-chloro-N-[(1S)-1-(4-chlorophenyl)ethyl]benzamide
CID 8751519
2-bromo-4-chloro-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide
CID 103945177
2-chloro-N-[(1S)-2-hydroxy-1-phenylethyl]-3-methylbenzamide
CID 103945018
3-[(2-chlorobenzoyl)amino]-3-(4-fluorophenyl)propanoic acid
CID 3806957
5-bromo-2-chloro-N-[(1R)-2-hydroxy-1-phenylethyl]benzamide
CID 103772690
5-chloro-N-(2-hydroxy-1-phenylethyl)-2-methoxybenzamide
CID 63184777

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[1-(4-chlorophenyl)-2-hydroxyethyl]benzamide?
The IUPAC name of 2-chloro-N-[1-(4-chlorophenyl)-2-hydroxyethyl]benzamide (CID 110004367) is 2-chloro-N-[1-(4-chlorophenyl)-2-hydroxyethyl]benzamide.
What is the SMILES notation for 2-chloro-N-[1-(4-chlorophenyl)-2-hydroxyethyl]benzamide?
The canonical SMILES for 2-chloro-N-[1-(4-chlorophenyl)-2-hydroxyethyl]benzamide is O=C(NC(CO)c1ccc(Cl)cc1)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-[1-(4-chlorophenyl)-2-hydroxyethyl]benzamide?
The InChIKey is JRMYFAWTRHQYGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl2NO2/c16-11-7-5-10(6-8-11)14(9-19)18-15(20)12-3-1-2-4-13(12)17/h1-8,14,19H,9H2,(H,18,20).
What are the key properties of 2-chloro-N-[1-(4-chlorophenyl)-2-hydroxyethyl]benzamide?
2-chloro-N-[1-(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 2-chloro-N-[1-(4-chlorophenyl)-2-hydroxyethyl]benzamide is sourced from PubChem (CID 110004367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).