3-chloro-N-(2-cyano-4-fluorophenyl)-4-hydroxybenzamide

C14H8ClFN2O2 — CID 82015912

IUPAC3-chloro-N-(2-cyano-4-fluorophenyl)-4-hydroxybenzamide
SMILESN#Cc1cc(F)ccc1NC(=O)c1ccc(O)c(Cl)c1
InChIInChI=1S/C14H8ClFN2O2/c15-11-6-8(1-4-13(11)19)14(20)18-12-3-2-10(16)5-9(12)7-17/h1-6,19H,(H,18,20)
InChIKeyLUUNFBSTJLHWIM-UHFFFAOYSA-N
MW290.68 g/mol
LogP3.31
Rot. Bonds2

About 3-chloro-N-(2-cyano-4-fluorophenyl)-4-hydroxybenzamide

3-chloro-N-(2-cyano-4-fluorophenyl)-4-hydroxybenzamide (PubChem CID 82015912) has the molecular formula C14H8ClFN2O2 and a molecular weight of 290.68 g/mol. Its IUPAC name is 3-chloro-N-(2-cyano-4-fluorophenyl)-4-hydroxybenzamide.

Molecular Properties

Compound Name3-chloro-N-(2-cyano-4-fluorophenyl)-4-hydroxybenzamide
PubChem CID82015912
Molecular FormulaC14H8ClFN2O2
Molecular Weight290.68 g/mol
Exact Mass290.03
IUPAC Name3-chloro-N-(2-cyano-4-fluorophenyl)-4-hydroxybenzamide
SMILESN#Cc1cc(F)ccc1NC(=O)c1ccc(O)c(Cl)c1
InChIInChI=1S/C14H8ClFN2O2/c15-11-6-8(1-4-13(11)19)14(20)18-12-3-2-10(16)5-9(12)7-17/h1-6,19H,(H,18,20)
InChIKeyLUUNFBSTJLHWIM-UHFFFAOYSA-N
XLogP3.31
TPSA73.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.68
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-N-(2-cyano-4-fluorophenyl)-4-fluorobenzamide
CID 81484638
4-chloro-N-(2-cyano-4-fluorophenyl)benzamide
CID 79946601
N-(2-bromo-4-fluorophenyl)-3-chloro-4-hydroxybenzamide
CID 28938603
N-(2-cyano-4-fluorophenyl)-4-iodobenzamide
CID 79952957
N-(2-cyano-4-fluorophenyl)-4-methylbenzamide
CID 79947423
N-(2-cyano-4-fluorophenyl)-2,5-dihydroxybenzamide
CID 107722029
N-(2-bromo-4-cyanophenyl)-3-chloro-4-hydroxybenzamide
CID 107791108
2-chloro-N-(2-cyano-4-fluorophenyl)-6-fluorobenzamide
CID 82016640
N-(2-cyano-4-fluorophenyl)-1,3-dihydro-2-benzofuran-5-carboxamide
CID 79954013
N-(2-chloro-5-fluorophenyl)-3,4-dihydroxybenzamide
CID 103956903
N-(2-cyano-4-fluorophenyl)furan-3-carboxamide
CID 79954360
3-chloro-N-(2-fluoro-4-methylphenyl)-4-hydroxybenzamide
CID 28881729

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(2-cyano-4-fluorophenyl)-4-hydroxybenzamide?
The IUPAC name of 3-chloro-N-(2-cyano-4-fluorophenyl)-4-hydroxybenzamide (CID 82015912) is 3-chloro-N-(2-cyano-4-fluorophenyl)-4-hydroxybenzamide.
What is the SMILES notation for 3-chloro-N-(2-cyano-4-fluorophenyl)-4-hydroxybenzamide?
The canonical SMILES for 3-chloro-N-(2-cyano-4-fluorophenyl)-4-hydroxybenzamide is N#Cc1cc(F)ccc1NC(=O)c1ccc(O)c(Cl)c1.
What is the InChIKey of 3-chloro-N-(2-cyano-4-fluorophenyl)-4-hydroxybenzamide?
The InChIKey is LUUNFBSTJLHWIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8ClFN2O2/c15-11-6-8(1-4-13(11)19)14(20)18-12-3-2-10(16)5-9(12)7-17/h1-6,19H,(H,18,20).
What are the key properties of 3-chloro-N-(2-cyano-4-fluorophenyl)-4-hydroxybenzamide?
3-chloro-N-(2-cyano-4-fluorophenyl)-4-hydroxybenzamide has a molecular weight of 290.68 g/mol, XLogP of 3.31, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(2-cyano-4-fluorophenyl)-4-hydroxybenzamide is sourced from PubChem (CID 82015912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).