N-(2-hydroxycyclohexyl)-2-(4-nitroanilino)benzamide

C19H21N3O4 — CID 16667132

IUPACN-(2-hydroxycyclohexyl)-2-(4-nitroanilino)benzamide
SMILESO=C(NC1CCCCC1O)c1ccccc1Nc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C19H21N3O4/c23-18-8-4-3-7-17(18)21-19(24)15-5-1-2-6-16(15)20-13-9-11-14(12-10-13)22(25)26/h1-2,5-6,9-12,17-18,20,23H,3-4,7-8H2,(H,21,24)
InChIKeyFEQCEFALQBAJSO-UHFFFAOYSA-N
MW355.39 g/mol
LogP3.37
Rot. Bonds5

About N-(2-hydroxycyclohexyl)-2-(4-nitroanilino)benzamide

N-(2-hydroxycyclohexyl)-2-(4-nitroanilino)benzamide (PubChem CID 16667132) has the molecular formula C19H21N3O4 and a molecular weight of 355.39 g/mol. Its IUPAC name is N-(2-hydroxycyclohexyl)-2-(4-nitroanilino)benzamide.

Molecular Properties

Compound NameN-(2-hydroxycyclohexyl)-2-(4-nitroanilino)benzamide
PubChem CID16667132
Molecular FormulaC19H21N3O4
Molecular Weight355.39 g/mol
Exact Mass355.15
IUPAC NameN-(2-hydroxycyclohexyl)-2-(4-nitroanilino)benzamide
SMILESO=C(NC1CCCCC1O)c1ccccc1Nc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C19H21N3O4/c23-18-8-4-3-7-17(18)21-19(24)15-5-1-2-6-16(15)20-13-9-11-14(12-10-13)22(25)26/h1-2,5-6,9-12,17-18,20,23H,3-4,7-8H2,(H,21,24)
InChIKeyFEQCEFALQBAJSO-UHFFFAOYSA-N
XLogP3.37
TPSA104.50 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.39
LogP ≤ 53.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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-hydroxycyclopentyl)-2-(4-nitrophenyl)sulfanylbenzamide
CID 16666926
N-[(1S,2S)-2-hydroxycyclopentyl]-4-nitrobenzamide
CID 95562447
N-(2-hydroxycyclohexyl)-2-methyl-5-nitrobenzamide
CID 62361086
N-[(1R,2R)-2-hydroxycyclohexyl]-2-methoxy-5-nitrobenzamide
CID 104927344
N-[(1S,2S)-2-hydroxycyclohexyl]-2-(propan-2-ylamino)benzamide
CID 107223849
2-[[(1S,2S)-2-hydroxycyclohexyl]carbamoyl]benzoic acid
CID 94415090
2-[[(1R,2R)-2-hydroxycyclohexyl]carbamoyl]benzoic acid
CID 94415091
N-(2-hydroxycyclohexyl)-2-(propylamino)benzamide
CID 62361158
N-[(2R)-2-hydroxycyclohexyl]-2-iodobenzamide
CID 6709814
N-(2-hydroxycyclohexyl)-2-iodobenzamide
CID 62365410
2-(4-nitroanilino)phenol
CID 14224817
N-[2-(aminomethyl)cyclopentyl]-2-anilinobenzamide
CID 119601108

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxycyclohexyl)-2-(4-nitroanilino)benzamide?
The IUPAC name of N-(2-hydroxycyclohexyl)-2-(4-nitroanilino)benzamide (CID 16667132) is N-(2-hydroxycyclohexyl)-2-(4-nitroanilino)benzamide.
What is the SMILES notation for N-(2-hydroxycyclohexyl)-2-(4-nitroanilino)benzamide?
The canonical SMILES for N-(2-hydroxycyclohexyl)-2-(4-nitroanilino)benzamide is O=C(NC1CCCCC1O)c1ccccc1Nc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of N-(2-hydroxycyclohexyl)-2-(4-nitroanilino)benzamide?
The InChIKey is FEQCEFALQBAJSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O4/c23-18-8-4-3-7-17(18)21-19(24)15-5-1-2-6-16(15)20-13-9-11-14(12-10-13)22(25)26/h1-2,5-6,9-12,17-18,20,23H,3-4,7-8H2,(H,21,24).
What are the key properties of N-(2-hydroxycyclohexyl)-2-(4-nitroanilino)benzamide?
N-(2-hydroxycyclohexyl)-2-(4-nitroanilino)benzamide has a molecular weight of 355.39 g/mol, XLogP of 3.37, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxycyclohexyl)-2-(4-nitroanilino)benzamide is sourced from PubChem (CID 16667132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).