N-[2-(3-chlorophenyl)ethyl]-4-hydroxy-3-phenylbenzamide

C21H18ClNO2 — CID 154832803

IUPACN-[2-(3-chlorophenyl)ethyl]-4-hydroxy-3-phenylbenzamide
SMILESO=C(NCCc1cccc(Cl)c1)c1ccc(O)c(-c2ccccc2)c1
InChIInChI=1S/C21H18ClNO2/c22-18-8-4-5-15(13-18)11-12-23-21(25)17-9-10-20(24)19(14-17)16-6-2-1-3-7-16/h1-10,13-14,24H,11-12H2,(H,23,25)
InChIKeyUKJCQFKKAKAOJT-UHFFFAOYSA-N
MW351.83 g/mol
LogP4.69
Rot. Bonds5

About N-[2-(3-chlorophenyl)ethyl]-4-hydroxy-3-phenylbenzamide

N-[2-(3-chlorophenyl)ethyl]-4-hydroxy-3-phenylbenzamide (PubChem CID 154832803) has the molecular formula C21H18ClNO2 and a molecular weight of 351.83 g/mol. Its IUPAC name is N-[2-(3-chlorophenyl)ethyl]-4-hydroxy-3-phenylbenzamide.

Molecular Properties

Compound NameN-[2-(3-chlorophenyl)ethyl]-4-hydroxy-3-phenylbenzamide
PubChem CID154832803
Molecular FormulaC21H18ClNO2
Molecular Weight351.83 g/mol
Exact Mass351.10
IUPAC NameN-[2-(3-chlorophenyl)ethyl]-4-hydroxy-3-phenylbenzamide
SMILESO=C(NCCc1cccc(Cl)c1)c1ccc(O)c(-c2ccccc2)c1
InChIInChI=1S/C21H18ClNO2/c22-18-8-4-5-15(13-18)11-12-23-21(25)17-9-10-20(24)19(14-17)16-6-2-1-3-7-16/h1-10,13-14,24H,11-12H2,(H,23,25)
InChIKeyUKJCQFKKAKAOJT-UHFFFAOYSA-N
XLogP4.69
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.83
LogP ≤ 54.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3,4-dichloro-N-[2-(3-chlorophenyl)ethyl]benzamide
CID 888038
N-[2-(3-chlorophenyl)ethyl]-3-[3-(hydroxycarbamoyl)phenyl]benzamide
CID 25255713
N-[2-(3-chlorophenyl)ethyl]-3-phenylthiophene-2-carboxamide
CID 18227178
N-[2-[[N-[2-(3-chlorophenyl)ethyl]-N'-methylcarbamimidoyl]amino]ethyl]benzamide;hydroiodide
CID 111358335
3-amino-N-[2-(3-chlorophenyl)ethyl]benzamide
CID 28722348
N-[2-(3-chlorophenyl)ethyl]-4-fluoro-3-methylbenzamide
CID 63213299
1-N-[2-(3-chlorophenyl)ethyl]-4-N-methyl-4-N-phenylbenzene-1,4-dicarboxamide
CID 109049117
N-[2-(3-chlorophenyl)ethyl]-3-ethylbenzamide;ethane
CID 143158267
1-N-[2-(3-chlorophenyl)ethyl]-4-N-(2-methylpropyl)benzene-1,4-dicarboxamide
CID 109043911
3-N-[2-(3-chlorophenyl)ethyl]-1-N-pentylbenzene-1,3-dicarboxamide
CID 109056265
5-chloro-2-hydroxy-N-[2-(4-phenylphenyl)ethyl]benzamide
CID 90932345
2-chloro-N-[2-(3-chlorophenyl)ethyl]benzamide
CID 873795

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chlorophenyl)ethyl]-4-hydroxy-3-phenylbenzamide?
The IUPAC name of N-[2-(3-chlorophenyl)ethyl]-4-hydroxy-3-phenylbenzamide (CID 154832803) is N-[2-(3-chlorophenyl)ethyl]-4-hydroxy-3-phenylbenzamide.
What is the SMILES notation for N-[2-(3-chlorophenyl)ethyl]-4-hydroxy-3-phenylbenzamide?
The canonical SMILES for N-[2-(3-chlorophenyl)ethyl]-4-hydroxy-3-phenylbenzamide is O=C(NCCc1cccc(Cl)c1)c1ccc(O)c(-c2ccccc2)c1.
What is the InChIKey of N-[2-(3-chlorophenyl)ethyl]-4-hydroxy-3-phenylbenzamide?
The InChIKey is UKJCQFKKAKAOJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClNO2/c22-18-8-4-5-15(13-18)11-12-23-21(25)17-9-10-20(24)19(14-17)16-6-2-1-3-7-16/h1-10,13-14,24H,11-12H2,(H,23,25).
What are the key properties of N-[2-(3-chlorophenyl)ethyl]-4-hydroxy-3-phenylbenzamide?
N-[2-(3-chlorophenyl)ethyl]-4-hydroxy-3-phenylbenzamide has a molecular weight of 351.83 g/mol, XLogP of 4.69, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-chlorophenyl)ethyl]-4-hydroxy-3-phenylbenzamide is sourced from PubChem (CID 154832803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).