2-chloro-N-cyclohexyl-5-[(3,5-dinitrobenzoyl)amino]benzamide

C20H19ClN4O6 — CID 17188414

IUPAC2-chloro-N-cyclohexyl-5-[(3,5-dinitrobenzoyl)amino]benzamide
SMILESO=C(Nc1ccc(Cl)c(C(=O)NC2CCCCC2)c1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1
InChIInChI=1S/C20H19ClN4O6/c21-18-7-6-14(10-17(18)20(27)22-13-4-2-1-3-5-13)23-19(26)12-8-15(24(28)29)11-16(9-12)25(30)31/h6-11,13H,1-5H2,(H,22,27)(H,23,26)
InChIKeyINMCSTVSOUQXIA-UHFFFAOYSA-N
MW446.85 g/mol
LogP4.47
Rot. Bonds6

About 2-chloro-N-cyclohexyl-5-[(3,5-dinitrobenzoyl)amino]benzamide

2-chloro-N-cyclohexyl-5-[(3,5-dinitrobenzoyl)amino]benzamide (PubChem CID 17188414) has the molecular formula C20H19ClN4O6 and a molecular weight of 446.85 g/mol. Its IUPAC name is 2-chloro-N-cyclohexyl-5-[(3,5-dinitrobenzoyl)amino]benzamide.

Molecular Properties

Compound Name2-chloro-N-cyclohexyl-5-[(3,5-dinitrobenzoyl)amino]benzamide
PubChem CID17188414
Molecular FormulaC20H19ClN4O6
Molecular Weight446.85 g/mol
Exact Mass446.10
IUPAC Name2-chloro-N-cyclohexyl-5-[(3,5-dinitrobenzoyl)amino]benzamide
SMILESO=C(Nc1ccc(Cl)c(C(=O)NC2CCCCC2)c1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1
InChIInChI=1S/C20H19ClN4O6/c21-18-7-6-14(10-17(18)20(27)22-13-4-2-1-3-5-13)23-19(26)12-8-15(24(28)29)11-16(9-12)25(30)31/h6-11,13H,1-5H2,(H,22,27)(H,23,26)
InChIKeyINMCSTVSOUQXIA-UHFFFAOYSA-N
XLogP4.47
TPSA144.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.85
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-cyclooctyl-3,5-dinitrobenzamide
CID 4130171
2-chloro-N-cyclohexyl-5-(cyclohexylcarbamoylamino)benzamide
CID 17188470
1-N,3-N-dicyclopentyl-5-nitrobenzene-1,3-dicarboxamide
CID 4058305
2-chloro-N-cycloheptyl-4-nitrobenzamide
CID 732198
N-[4-chloro-3-(cyclohexylcarbamoyl)phenyl]-3-iodo-4-methylbenzamide
CID 17188463
2-chloro-N-cyclohexyl-5-(phenylcarbamoylamino)benzamide
CID 17188425
2-chloro-N-cyclohexyl-5-[[4-(2-phenoxyethoxy)benzoyl]amino]benzamide
CID 17188518
5-[[2-(3-benzamidoanilino)-2-oxoethyl]amino]-2-chloro-N-cyclohexylbenzamide
CID 54833038
2-chloro-N-cyclopentyl-5-(propanoylamino)benzamide
CID 50875940
2-[[4-chloro-3-(cyclohexylcarbamoyl)phenyl]carbamoyl]cyclobutane-1-carboxylic acid
CID 120975390
2-chloro-N-cyclohexyl-5-[[4-(2-oxopyrrolidin-1-yl)benzoyl]amino]benzamide
CID 60540482
2-chloro-N-[4-(methylamino)cyclohexyl]-5-nitrobenzamide
CID 79117755

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-cyclohexyl-5-[(3,5-dinitrobenzoyl)amino]benzamide?
The IUPAC name of 2-chloro-N-cyclohexyl-5-[(3,5-dinitrobenzoyl)amino]benzamide (CID 17188414) is 2-chloro-N-cyclohexyl-5-[(3,5-dinitrobenzoyl)amino]benzamide.
What is the SMILES notation for 2-chloro-N-cyclohexyl-5-[(3,5-dinitrobenzoyl)amino]benzamide?
The canonical SMILES for 2-chloro-N-cyclohexyl-5-[(3,5-dinitrobenzoyl)amino]benzamide is O=C(Nc1ccc(Cl)c(C(=O)NC2CCCCC2)c1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1.
What is the InChIKey of 2-chloro-N-cyclohexyl-5-[(3,5-dinitrobenzoyl)amino]benzamide?
The InChIKey is INMCSTVSOUQXIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN4O6/c21-18-7-6-14(10-17(18)20(27)22-13-4-2-1-3-5-13)23-19(26)12-8-15(24(28)29)11-16(9-12)25(30)31/h6-11,13H,1-5H2,(H,22,27)(H,23,26).
What are the key properties of 2-chloro-N-cyclohexyl-5-[(3,5-dinitrobenzoyl)amino]benzamide?
2-chloro-N-cyclohexyl-5-[(3,5-dinitrobenzoyl)amino]benzamide has a molecular weight of 446.85 g/mol, XLogP of 4.47, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-cyclohexyl-5-[(3,5-dinitrobenzoyl)amino]benzamide is sourced from PubChem (CID 17188414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).