2-chloro-N-(2-hydroxycyclohexyl)-6-nitrobenzamide

C13H15ClN2O4 — CID 63658597

IUPAC2-chloro-N-(2-hydroxycyclohexyl)-6-nitrobenzamide
SMILESO=C(NC1CCCCC1O)c1c(Cl)cccc1[N+](=O)[O-]
InChIInChI=1S/C13H15ClN2O4/c14-8-4-3-6-10(16(19)20)12(8)13(18)15-9-5-1-2-7-11(9)17/h3-4,6,9,11,17H,1-2,5,7H2,(H,15,18)
InChIKeyWBFRUEBSBYENCV-UHFFFAOYSA-N
MW298.73 g/mol
LogP2.28
Rot. Bonds3

About 2-chloro-N-(2-hydroxycyclohexyl)-6-nitrobenzamide

2-chloro-N-(2-hydroxycyclohexyl)-6-nitrobenzamide (PubChem CID 63658597) has the molecular formula C13H15ClN2O4 and a molecular weight of 298.73 g/mol. Its IUPAC name is 2-chloro-N-(2-hydroxycyclohexyl)-6-nitrobenzamide.

Molecular Properties

Compound Name2-chloro-N-(2-hydroxycyclohexyl)-6-nitrobenzamide
PubChem CID63658597
Molecular FormulaC13H15ClN2O4
Molecular Weight298.73 g/mol
Exact Mass298.07
IUPAC Name2-chloro-N-(2-hydroxycyclohexyl)-6-nitrobenzamide
SMILESO=C(NC1CCCCC1O)c1c(Cl)cccc1[N+](=O)[O-]
InChIInChI=1S/C13H15ClN2O4/c14-8-4-3-6-10(16(19)20)12(8)13(18)15-9-5-1-2-7-11(9)17/h3-4,6,9,11,17H,1-2,5,7H2,(H,15,18)
InChIKeyWBFRUEBSBYENCV-UHFFFAOYSA-N
XLogP2.28
TPSA92.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.73
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[2-(bromomethyl)cyclohexyl]-2-chloro-6-nitrobenzamide
CID 106367266
4-chloro-N-[(1R,2R)-2-hydroxycyclohexyl]-2-nitrobenzamide
CID 104927193
N-(2-bromocyclohexyl)-2,6-dichlorobenzamide
CID 113275038
2-chloro-6-nitro-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)benzamide
CID 122137091
N-(2-aminocyclohexyl)-2,6-dichlorobenzamide
CID 54905013
N-[(4-bromocyclohexyl)methyl]-2-chloro-6-nitrobenzamide
CID 106134498
2-chloro-N-[(1S,2S)-2-hydroxycyclohexyl]-5-nitropyridine-4-carboxamide
CID 104957413
4-chloro-N-[2-[(4-chloro-3-nitrobenzoyl)amino]cyclohexyl]-3-nitrobenzamide
CID 3385359
3-fluoro-N-[(1S,2S)-2-hydroxycyclohexyl]-4-nitrobenzamide
CID 104957120
2-chloro-6-nitrobenzoic acid
CID 170923318
2-chloro-6-nitro-N-(piperidin-4-ylmethyl)benzamide
CID 63659497
2-chloro-N-[1-(hydroxymethyl)cyclopentyl]-6-nitrobenzamide
CID 63658968

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2-hydroxycyclohexyl)-6-nitrobenzamide?
The IUPAC name of 2-chloro-N-(2-hydroxycyclohexyl)-6-nitrobenzamide (CID 63658597) is 2-chloro-N-(2-hydroxycyclohexyl)-6-nitrobenzamide.
What is the SMILES notation for 2-chloro-N-(2-hydroxycyclohexyl)-6-nitrobenzamide?
The canonical SMILES for 2-chloro-N-(2-hydroxycyclohexyl)-6-nitrobenzamide is O=C(NC1CCCCC1O)c1c(Cl)cccc1[N+](=O)[O-].
What is the InChIKey of 2-chloro-N-(2-hydroxycyclohexyl)-6-nitrobenzamide?
The InChIKey is WBFRUEBSBYENCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2O4/c14-8-4-3-6-10(16(19)20)12(8)13(18)15-9-5-1-2-7-11(9)17/h3-4,6,9,11,17H,1-2,5,7H2,(H,15,18).
What are the key properties of 2-chloro-N-(2-hydroxycyclohexyl)-6-nitrobenzamide?
2-chloro-N-(2-hydroxycyclohexyl)-6-nitrobenzamide has a molecular weight of 298.73 g/mol, XLogP of 2.28, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2-hydroxycyclohexyl)-6-nitrobenzamide is sourced from PubChem (CID 63658597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).