2-chloro-N-cyclohexyl-N-ethyl-5-nitrobenzamide

C15H19ClN2O3 — CID 43081835

IUPAC2-chloro-N-cyclohexyl-N-ethyl-5-nitrobenzamide
SMILESCCN(C(=O)c1cc([N+](=O)[O-])ccc1Cl)C1CCCCC1
InChIInChI=1S/C15H19ClN2O3/c1-2-17(11-6-4-3-5-7-11)15(19)13-10-12(18(20)21)8-9-14(13)16/h8-11H,2-7H2,1H3
InChIKeyZANCSPRLBGLCQK-UHFFFAOYSA-N
MW310.78 g/mol
LogP4.04
Rot. Bonds4

About 2-chloro-N-cyclohexyl-N-ethyl-5-nitrobenzamide

2-chloro-N-cyclohexyl-N-ethyl-5-nitrobenzamide (PubChem CID 43081835) has the molecular formula C15H19ClN2O3 and a molecular weight of 310.78 g/mol. Its IUPAC name is 2-chloro-N-cyclohexyl-N-ethyl-5-nitrobenzamide.

Molecular Properties

Compound Name2-chloro-N-cyclohexyl-N-ethyl-5-nitrobenzamide
PubChem CID43081835
Molecular FormulaC15H19ClN2O3
Molecular Weight310.78 g/mol
Exact Mass310.11
IUPAC Name2-chloro-N-cyclohexyl-N-ethyl-5-nitrobenzamide
SMILESCCN(C(=O)c1cc([N+](=O)[O-])ccc1Cl)C1CCCCC1
InChIInChI=1S/C15H19ClN2O3/c1-2-17(11-6-4-3-5-7-11)15(19)13-10-12(18(20)21)8-9-14(13)16/h8-11H,2-7H2,1H3
InChIKeyZANCSPRLBGLCQK-UHFFFAOYSA-N
XLogP4.04
TPSA63.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.78
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

2-chloro-N-cyclohexyl-N-ethyl-3,5-dinitrobenzamide
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N-cyclopropyl-N-ethyl-2-fluoro-5-nitrobenzamide
CID 43377587
2-chloro-N-cyclopropyl-N-(3-methylbutyl)-5-nitrobenzamide
CID 60732997
2-chloro-N-ethyl-N-methyl-5-nitrobenzamide
CID 43243488
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CID 65372864
2-chloro-N-cyclopentyl-N-ethyl-5-methylsulfonylbenzamide
CID 134060819
2-chloro-5-nitro-N-propyl-N-pyrrolidin-3-ylbenzamide
CID 63300545
N,N-di(butan-2-yl)-2-chloro-5-nitrobenzamide
CID 4526092
N-[(2-chloro-5-nitrophenyl)methyl]-N-ethylcyclopentanamine
CID 43541101
4-bromo-2-chloro-N-cyclohexyl-N-ethylbenzamide
CID 52696658
4-amino-2-chloro-N-cyclohexyl-N-ethylbenzamide
CID 16787456

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-cyclohexyl-N-ethyl-5-nitrobenzamide?
The IUPAC name of 2-chloro-N-cyclohexyl-N-ethyl-5-nitrobenzamide (CID 43081835) is 2-chloro-N-cyclohexyl-N-ethyl-5-nitrobenzamide.
What is the SMILES notation for 2-chloro-N-cyclohexyl-N-ethyl-5-nitrobenzamide?
The canonical SMILES for 2-chloro-N-cyclohexyl-N-ethyl-5-nitrobenzamide is CCN(C(=O)c1cc([N+](=O)[O-])ccc1Cl)C1CCCCC1.
What is the InChIKey of 2-chloro-N-cyclohexyl-N-ethyl-5-nitrobenzamide?
The InChIKey is ZANCSPRLBGLCQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2O3/c1-2-17(11-6-4-3-5-7-11)15(19)13-10-12(18(20)21)8-9-14(13)16/h8-11H,2-7H2,1H3.
What are the key properties of 2-chloro-N-cyclohexyl-N-ethyl-5-nitrobenzamide?
2-chloro-N-cyclohexyl-N-ethyl-5-nitrobenzamide has a molecular weight of 310.78 g/mol, XLogP of 4.04, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-cyclohexyl-N-ethyl-5-nitrobenzamide is sourced from PubChem (CID 43081835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).