4-cyclohexyl-N-(2,4-dinitrophenyl)benzamide

C19H19N3O5 — CID 44665405

IUPAC4-cyclohexyl-N-(2,4-dinitrophenyl)benzamide
SMILESO=C(Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccc(C2CCCCC2)cc1
InChIInChI=1S/C19H19N3O5/c23-19(15-8-6-14(7-9-15)13-4-2-1-3-5-13)20-17-11-10-16(21(24)25)12-18(17)22(26)27/h6-13H,1-5H2,(H,20,23)
InChIKeyPPGQUDIWZXLPIS-UHFFFAOYSA-N
MW369.38 g/mol
LogP4.80
Rot. Bonds5

About 4-cyclohexyl-N-(2,4-dinitrophenyl)benzamide

4-cyclohexyl-N-(2,4-dinitrophenyl)benzamide (PubChem CID 44665405) has the molecular formula C19H19N3O5 and a molecular weight of 369.38 g/mol. Its IUPAC name is 4-cyclohexyl-N-(2,4-dinitrophenyl)benzamide.

Molecular Properties

Compound Name4-cyclohexyl-N-(2,4-dinitrophenyl)benzamide
PubChem CID44665405
Molecular FormulaC19H19N3O5
Molecular Weight369.38 g/mol
Exact Mass369.13
IUPAC Name4-cyclohexyl-N-(2,4-dinitrophenyl)benzamide
SMILESO=C(Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccc(C2CCCCC2)cc1
InChIInChI=1S/C19H19N3O5/c23-19(15-8-6-14(7-9-15)13-4-2-1-3-5-13)20-17-11-10-16(21(24)25)12-18(17)22(26)27/h6-13H,1-5H2,(H,20,23)
InChIKeyPPGQUDIWZXLPIS-UHFFFAOYSA-N
XLogP4.80
TPSA115.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.38
LogP ≤ 54.80
H-Bond Donors ≤ 51
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

1-N,3-N-bis(2,4-dinitrophenyl)benzene-1,3-dicarboxamide
CID 628714
N-(2,4-dinitrophenyl)-3-nitrobenzamide
CID 3427628
N-(5-cyclopropyl-2-methylphenyl)-4-nitrobenzamide
CID 126649145
N-(4-amino-2-nitrophenyl)-4-nitrobenzamide
CID 3089914
N-(4-cyclohexylphenyl)-3-methyl-4-nitrobenzamide
CID 155697179
4-(dimethylsulfamoyl)-N-(2,4-dinitrophenyl)benzamide
CID 3956705
4-[(4-cyclohexylbenzoyl)amino]-3-cyclopentylbenzoic acid
CID 174448388
N-(2,4-dinitrophenyl)cycloheptanamine
CID 9283016
6-chloro-N-(2,4-dinitrophenyl)pyridine-3-carboxamide
CID 22668935
2-(cyclopentylamino)-N-(2,4-dinitrophenyl)acetamide
CID 17066729
(2,4-dinitrophenyl)carbamic acid
CID 154114547
ethyl (Z)-4-chloro-4-(4-cyclohexylphenyl)-3-[(Z)-[(2,4-dinitrophenyl)hydrazinylidene]methyl]but-3-enoate
CID 20845325

Frequently Asked Questions

What is the IUPAC name of 4-cyclohexyl-N-(2,4-dinitrophenyl)benzamide?
The IUPAC name of 4-cyclohexyl-N-(2,4-dinitrophenyl)benzamide (CID 44665405) is 4-cyclohexyl-N-(2,4-dinitrophenyl)benzamide.
What is the SMILES notation for 4-cyclohexyl-N-(2,4-dinitrophenyl)benzamide?
The canonical SMILES for 4-cyclohexyl-N-(2,4-dinitrophenyl)benzamide is O=C(Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccc(C2CCCCC2)cc1.
What is the InChIKey of 4-cyclohexyl-N-(2,4-dinitrophenyl)benzamide?
The InChIKey is PPGQUDIWZXLPIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O5/c23-19(15-8-6-14(7-9-15)13-4-2-1-3-5-13)20-17-11-10-16(21(24)25)12-18(17)22(26)27/h6-13H,1-5H2,(H,20,23).
What are the key properties of 4-cyclohexyl-N-(2,4-dinitrophenyl)benzamide?
4-cyclohexyl-N-(2,4-dinitrophenyl)benzamide has a molecular weight of 369.38 g/mol, XLogP of 4.80, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexyl-N-(2,4-dinitrophenyl)benzamide is sourced from PubChem (CID 44665405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).