4-chloro-N-(1-cyanocyclohexyl)-2-hydroxybenzamide

C14H15ClN2O2 — CID 60717137

IUPAC4-chloro-N-(1-cyanocyclohexyl)-2-hydroxybenzamide
SMILESN#CC1(NC(=O)c2ccc(Cl)cc2O)CCCCC1
InChIInChI=1S/C14H15ClN2O2/c15-10-4-5-11(12(18)8-10)13(19)17-14(9-16)6-2-1-3-7-14/h4-5,8,18H,1-3,6-7H2,(H,17,19)
InChIKeyWVSWFYMLFMQDRN-UHFFFAOYSA-N
MW278.74 g/mol
LogP3.00
Rot. Bonds2

About 4-chloro-N-(1-cyanocyclohexyl)-2-hydroxybenzamide

4-chloro-N-(1-cyanocyclohexyl)-2-hydroxybenzamide (PubChem CID 60717137) has the molecular formula C14H15ClN2O2 and a molecular weight of 278.74 g/mol. Its IUPAC name is 4-chloro-N-(1-cyanocyclohexyl)-2-hydroxybenzamide.

Molecular Properties

Compound Name4-chloro-N-(1-cyanocyclohexyl)-2-hydroxybenzamide
PubChem CID60717137
Molecular FormulaC14H15ClN2O2
Molecular Weight278.74 g/mol
Exact Mass278.08
IUPAC Name4-chloro-N-(1-cyanocyclohexyl)-2-hydroxybenzamide
SMILESN#CC1(NC(=O)c2ccc(Cl)cc2O)CCCCC1
InChIInChI=1S/C14H15ClN2O2/c15-10-4-5-11(12(18)8-10)13(19)17-14(9-16)6-2-1-3-7-14/h4-5,8,18H,1-3,6-7H2,(H,17,19)
InChIKeyWVSWFYMLFMQDRN-UHFFFAOYSA-N
XLogP3.00
TPSA73.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.74
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-N-(1-cyanocyclohexyl)-2-iodobenzamide
CID 86986055
4-chloro-2-hydroxy-N-(1-methylcyclohexyl)benzamide
CID 61217012
4-amino-2-chloro-N-(1-cyanocyclohexyl)benzamide
CID 110474001
5-amino-2-chloro-N-(1-cyanocyclohexyl)benzamide
CID 110473984
4-chloro-N-(1-cyanocyclohexyl)pyridine-2-carboxamide
CID 78831230
N-(1-cyanocycloheptyl)-2-fluoro-5-methylbenzamide
CID 62514137
2-[1-[(4-chloro-2-hydroxybenzoyl)amino]cyclohexyl]acetic acid
CID 64671169
2,6-dichloro-N-(1-cyanocycloheptyl)pyridine-4-carboxamide
CID 60966983
2-[1-[(4-chloro-2-hydroxybenzoyl)amino]cyclopentyl]acetic acid
CID 64672384
N-(1-cyanocyclohexyl)-2-hydroxy-5-methoxybenzamide
CID 60717143
N-(1-cyanocycloheptyl)-3,5-dihydroxybenzamide
CID 104938860
N-(1-cyanocyclohexyl)-4-hydroxybenzamide
CID 60717123

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(1-cyanocyclohexyl)-2-hydroxybenzamide?
The IUPAC name of 4-chloro-N-(1-cyanocyclohexyl)-2-hydroxybenzamide (CID 60717137) is 4-chloro-N-(1-cyanocyclohexyl)-2-hydroxybenzamide.
What is the SMILES notation for 4-chloro-N-(1-cyanocyclohexyl)-2-hydroxybenzamide?
The canonical SMILES for 4-chloro-N-(1-cyanocyclohexyl)-2-hydroxybenzamide is N#CC1(NC(=O)c2ccc(Cl)cc2O)CCCCC1.
What is the InChIKey of 4-chloro-N-(1-cyanocyclohexyl)-2-hydroxybenzamide?
The InChIKey is WVSWFYMLFMQDRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O2/c15-10-4-5-11(12(18)8-10)13(19)17-14(9-16)6-2-1-3-7-14/h4-5,8,18H,1-3,6-7H2,(H,17,19).
What are the key properties of 4-chloro-N-(1-cyanocyclohexyl)-2-hydroxybenzamide?
4-chloro-N-(1-cyanocyclohexyl)-2-hydroxybenzamide has a molecular weight of 278.74 g/mol, XLogP of 3.00, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(1-cyanocyclohexyl)-2-hydroxybenzamide is sourced from PubChem (CID 60717137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).