N-(2-chlorocyclohexyl)-2,3-dihydroxybenzamide

C13H16ClNO3 — CID 114345275

IUPACN-(2-chlorocyclohexyl)-2,3-dihydroxybenzamide
SMILESO=C(NC1CCCCC1Cl)c1cccc(O)c1O
InChIInChI=1S/C13H16ClNO3/c14-9-5-1-2-6-10(9)15-13(18)8-4-3-7-11(16)12(8)17/h3-4,7,9-10,16-17H,1-2,5-6H2,(H,15,18)
InChIKeyNKFVMSBRTYNUJQ-UHFFFAOYSA-N
MW269.73 g/mol
LogP2.38
Rot. Bonds2

About N-(2-chlorocyclohexyl)-2,3-dihydroxybenzamide

N-(2-chlorocyclohexyl)-2,3-dihydroxybenzamide (PubChem CID 114345275) has the molecular formula C13H16ClNO3 and a molecular weight of 269.73 g/mol. Its IUPAC name is N-(2-chlorocyclohexyl)-2,3-dihydroxybenzamide.

Molecular Properties

Compound NameN-(2-chlorocyclohexyl)-2,3-dihydroxybenzamide
PubChem CID114345275
Molecular FormulaC13H16ClNO3
Molecular Weight269.73 g/mol
Exact Mass269.08
IUPAC NameN-(2-chlorocyclohexyl)-2,3-dihydroxybenzamide
SMILESO=C(NC1CCCCC1Cl)c1cccc(O)c1O
InChIInChI=1S/C13H16ClNO3/c14-9-5-1-2-6-10(9)15-13(18)8-4-3-7-11(16)12(8)17/h3-4,7,9-10,16-17H,1-2,5-6H2,(H,15,18)
InChIKeyNKFVMSBRTYNUJQ-UHFFFAOYSA-N
XLogP2.38
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.73
LogP ≤ 52.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

2-[(2,3-dihydroxybenzoyl)amino]cycloheptane-1-carboxylic acid
CID 114343415
4-chloro-N-(2-chlorocyclohexyl)-2-hydroxybenzamide
CID 113272580
2-bromo-N-(2-chlorocyclohexyl)benzamide
CID 114301050
2,3-dichloro-N-(2-chlorocyclopentyl)benzamide
CID 106443948
2,3-dihydroxy-N-(2-methoxycyclopentyl)benzamide
CID 114344265
N-(2-chlorocyclohexyl)-2-fluoro-3-(trifluoromethyl)benzamide
CID 114301247
2,4-dibromo-N-(2-chlorocycloheptyl)benzamide
CID 107941355
3-amino-2-hydroxy-N-[(1R,2R)-2-hydroxycyclohexyl]benzamide
CID 45086848
4-bromo-N-(2-chlorocyclohexyl)-2-methylbenzamide
CID 113272606
N-[2-(chloromethyl)cyclohexyl]-2-hydroxy-3-methylbenzamide
CID 106366835
4-bromo-N-(2-chlorocycloheptyl)-2-methylbenzamide
CID 113395058
2,3-dihydroxy-N-(4-hydroxycyclohexyl)benzamide
CID 104966719

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorocyclohexyl)-2,3-dihydroxybenzamide?
The IUPAC name of N-(2-chlorocyclohexyl)-2,3-dihydroxybenzamide (CID 114345275) is N-(2-chlorocyclohexyl)-2,3-dihydroxybenzamide.
What is the SMILES notation for N-(2-chlorocyclohexyl)-2,3-dihydroxybenzamide?
The canonical SMILES for N-(2-chlorocyclohexyl)-2,3-dihydroxybenzamide is O=C(NC1CCCCC1Cl)c1cccc(O)c1O.
What is the InChIKey of N-(2-chlorocyclohexyl)-2,3-dihydroxybenzamide?
The InChIKey is NKFVMSBRTYNUJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClNO3/c14-9-5-1-2-6-10(9)15-13(18)8-4-3-7-11(16)12(8)17/h3-4,7,9-10,16-17H,1-2,5-6H2,(H,15,18).
What are the key properties of N-(2-chlorocyclohexyl)-2,3-dihydroxybenzamide?
N-(2-chlorocyclohexyl)-2,3-dihydroxybenzamide has a molecular weight of 269.73 g/mol, XLogP of 2.38, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorocyclohexyl)-2,3-dihydroxybenzamide is sourced from PubChem (CID 114345275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).