N-(2-chloro-4-cyanophenyl)-2,6-dihydroxybenzamide

C14H9ClN2O3 — CID 107808194

IUPACN-(2-chloro-4-cyanophenyl)-2,6-dihydroxybenzamide
SMILESN#Cc1ccc(NC(=O)c2c(O)cccc2O)c(Cl)c1
InChIInChI=1S/C14H9ClN2O3/c15-9-6-8(7-16)4-5-10(9)17-14(20)13-11(18)2-1-3-12(13)19/h1-6,18-19H,(H,17,20)
InChIKeyWPNNIHBVYVZYDO-UHFFFAOYSA-N
MW288.69 g/mol
LogP2.88
Rot. Bonds2

About N-(2-chloro-4-cyanophenyl)-2,6-dihydroxybenzamide

N-(2-chloro-4-cyanophenyl)-2,6-dihydroxybenzamide (PubChem CID 107808194) has the molecular formula C14H9ClN2O3 and a molecular weight of 288.69 g/mol. Its IUPAC name is N-(2-chloro-4-cyanophenyl)-2,6-dihydroxybenzamide.

Molecular Properties

Compound NameN-(2-chloro-4-cyanophenyl)-2,6-dihydroxybenzamide
PubChem CID107808194
Molecular FormulaC14H9ClN2O3
Molecular Weight288.69 g/mol
Exact Mass288.03
IUPAC NameN-(2-chloro-4-cyanophenyl)-2,6-dihydroxybenzamide
SMILESN#Cc1ccc(NC(=O)c2c(O)cccc2O)c(Cl)c1
InChIInChI=1S/C14H9ClN2O3/c15-9-6-8(7-16)4-5-10(9)17-14(20)13-11(18)2-1-3-12(13)19/h1-6,18-19H,(H,17,20)
InChIKeyWPNNIHBVYVZYDO-UHFFFAOYSA-N
XLogP2.88
TPSA93.35 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.69
LogP ≤ 52.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-(2-chloro-4-cyanophenyl)-6-fluorobenzamide
CID 103811173
N-(4-cyano-2-fluorophenyl)-2,6-dihydroxybenzamide
CID 107688649
3-chloro-N-(2-chloro-4-cyanophenyl)-2-methylbenzamide
CID 107143579
4-chloro-N-(2-chloro-4-cyanophenyl)benzamide
CID 103799745
2,5-dichloro-N-(2-chloro-4-cyanophenyl)benzamide
CID 103799731
N-(2-chloro-4-cyanophenyl)-2-methylbenzamide
CID 103799806
N-(2-chloro-4-cyanophenyl)-2-fluoro-3-methylbenzamide
CID 103811028
5-tert-butyl-N-(2-chloro-4-cyanophenyl)-2-hydroxybenzamide
CID 86273414
5-chloro-N-(2-chloro-4-cyanophenyl)pyridine-2-carboxamide
CID 103811024
2,6-dichloro-N-(5-cyano-2-methylphenyl)benzamide
CID 62105070
N-(2-chloro-4-cyanophenyl)-5-hydroxypyridine-3-carboxamide
CID 107808799
1-(2-chloro-4-cyanophenyl)-3-(4-cyanophenyl)urea
CID 107808221

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-cyanophenyl)-2,6-dihydroxybenzamide?
The IUPAC name of N-(2-chloro-4-cyanophenyl)-2,6-dihydroxybenzamide (CID 107808194) is N-(2-chloro-4-cyanophenyl)-2,6-dihydroxybenzamide.
What is the SMILES notation for N-(2-chloro-4-cyanophenyl)-2,6-dihydroxybenzamide?
The canonical SMILES for N-(2-chloro-4-cyanophenyl)-2,6-dihydroxybenzamide is N#Cc1ccc(NC(=O)c2c(O)cccc2O)c(Cl)c1.
What is the InChIKey of N-(2-chloro-4-cyanophenyl)-2,6-dihydroxybenzamide?
The InChIKey is WPNNIHBVYVZYDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClN2O3/c15-9-6-8(7-16)4-5-10(9)17-14(20)13-11(18)2-1-3-12(13)19/h1-6,18-19H,(H,17,20).
What are the key properties of N-(2-chloro-4-cyanophenyl)-2,6-dihydroxybenzamide?
N-(2-chloro-4-cyanophenyl)-2,6-dihydroxybenzamide has a molecular weight of 288.69 g/mol, XLogP of 2.88, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-cyanophenyl)-2,6-dihydroxybenzamide is sourced from PubChem (CID 107808194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).