3-(4-chloro-3-hydroxyphenyl)-N-(2-ethylphenyl)-2-fluorobenzamide

C21H17ClFNO2 — CID 169205454

IUPAC3-(4-chloro-3-hydroxyphenyl)-N-(2-ethylphenyl)-2-fluorobenzamide
SMILESCCc1ccccc1NC(=O)c1cccc(-c2ccc(Cl)c(O)c2)c1F
InChIInChI=1S/C21H17ClFNO2/c1-2-13-6-3-4-9-18(13)24-21(26)16-8-5-7-15(20(16)23)14-10-11-17(22)19(25)12-14/h3-12,25H,2H2,1H3,(H,24,26)
InChIKeyXGHPHEHTGHWKOY-UHFFFAOYSA-N
MW369.82 g/mol
LogP5.67
Rot. Bonds4

About 3-(4-chloro-3-hydroxyphenyl)-N-(2-ethylphenyl)-2-fluorobenzamide

3-(4-chloro-3-hydroxyphenyl)-N-(2-ethylphenyl)-2-fluorobenzamide (PubChem CID 169205454) has the molecular formula C21H17ClFNO2 and a molecular weight of 369.82 g/mol. Its IUPAC name is 3-(4-chloro-3-hydroxyphenyl)-N-(2-ethylphenyl)-2-fluorobenzamide.

Molecular Properties

Compound Name3-(4-chloro-3-hydroxyphenyl)-N-(2-ethylphenyl)-2-fluorobenzamide
PubChem CID169205454
Molecular FormulaC21H17ClFNO2
Molecular Weight369.82 g/mol
Exact Mass369.09
IUPAC Name3-(4-chloro-3-hydroxyphenyl)-N-(2-ethylphenyl)-2-fluorobenzamide
SMILESCCc1ccccc1NC(=O)c1cccc(-c2ccc(Cl)c(O)c2)c1F
InChIInChI=1S/C21H17ClFNO2/c1-2-13-6-3-4-9-18(13)24-21(26)16-8-5-7-15(20(16)23)14-10-11-17(22)19(25)12-14/h3-12,25H,2H2,1H3,(H,24,26)
InChIKeyXGHPHEHTGHWKOY-UHFFFAOYSA-N
XLogP5.67
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.82
LogP ≤ 55.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-ethylphenyl)-2,3-difluorobenzamide
CID 62650811
1-N,2-N-bis(2-ethylphenyl)benzene-1,2-dicarboxamide
CID 4151337
N-(2-ethylphenyl)-5-fluoro-2-hydroxybenzamide
CID 115298874
4-chloro-N-(2-ethylphenyl)-2-fluoro-5-sulfamoylbenzamide
CID 100913420
N-(2-ethylphenyl)-6-(4-fluorophenyl)-2-oxo-1H-pyridine-3-carboxamide
CID 66497727
N-(2-ethylphenyl)-2-[(4-fluorobenzoyl)amino]benzamide
CID 58758751
N-(2-ethylphenyl)-2,3-dimethylbenzamide
CID 7923827
N-(2-ethylphenyl)-2-methylsulfanylbenzamide
CID 973960
2,6-dichloro-N-(2-ethylphenyl)pyridine-4-carboxamide
CID 26208762
2,5-dichloro-N-[2-(hydroxymethyl)phenyl]benzamide
CID 61497828
3-chloro-N-(2-ethylphenyl)pyridine-4-carboxamide
CID 66462437
3-bromo-N-[2-(chloromethyl)phenyl]-2-fluorobenzamide
CID 107956658

Frequently Asked Questions

What is the IUPAC name of 3-(4-chloro-3-hydroxyphenyl)-N-(2-ethylphenyl)-2-fluorobenzamide?
The IUPAC name of 3-(4-chloro-3-hydroxyphenyl)-N-(2-ethylphenyl)-2-fluorobenzamide (CID 169205454) is 3-(4-chloro-3-hydroxyphenyl)-N-(2-ethylphenyl)-2-fluorobenzamide.
What is the SMILES notation for 3-(4-chloro-3-hydroxyphenyl)-N-(2-ethylphenyl)-2-fluorobenzamide?
The canonical SMILES for 3-(4-chloro-3-hydroxyphenyl)-N-(2-ethylphenyl)-2-fluorobenzamide is CCc1ccccc1NC(=O)c1cccc(-c2ccc(Cl)c(O)c2)c1F.
What is the InChIKey of 3-(4-chloro-3-hydroxyphenyl)-N-(2-ethylphenyl)-2-fluorobenzamide?
The InChIKey is XGHPHEHTGHWKOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClFNO2/c1-2-13-6-3-4-9-18(13)24-21(26)16-8-5-7-15(20(16)23)14-10-11-17(22)19(25)12-14/h3-12,25H,2H2,1H3,(H,24,26).
What are the key properties of 3-(4-chloro-3-hydroxyphenyl)-N-(2-ethylphenyl)-2-fluorobenzamide?
3-(4-chloro-3-hydroxyphenyl)-N-(2-ethylphenyl)-2-fluorobenzamide has a molecular weight of 369.82 g/mol, XLogP of 5.67, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloro-3-hydroxyphenyl)-N-(2-ethylphenyl)-2-fluorobenzamide is sourced from PubChem (CID 169205454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).