2-chloro-N-cyclohexyl-N-ethyl-3,5-dinitrobenzamide

C15H18ClN3O5 — CID 4633265

IUPAC2-chloro-N-cyclohexyl-N-ethyl-3,5-dinitrobenzamide
SMILESCCN(C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1Cl)C1CCCCC1
InChIInChI=1S/C15H18ClN3O5/c1-2-17(10-6-4-3-5-7-10)15(20)12-8-11(18(21)22)9-13(14(12)16)19(23)24/h8-10H,2-7H2,1H3
InChIKeyVDZNKPRCFBQJNR-UHFFFAOYSA-N
MW355.78 g/mol
LogP3.95
Rot. Bonds5

About 2-chloro-N-cyclohexyl-N-ethyl-3,5-dinitrobenzamide

2-chloro-N-cyclohexyl-N-ethyl-3,5-dinitrobenzamide (PubChem CID 4633265) has the molecular formula C15H18ClN3O5 and a molecular weight of 355.78 g/mol. Its IUPAC name is 2-chloro-N-cyclohexyl-N-ethyl-3,5-dinitrobenzamide.

Molecular Properties

Compound Name2-chloro-N-cyclohexyl-N-ethyl-3,5-dinitrobenzamide
PubChem CID4633265
Molecular FormulaC15H18ClN3O5
Molecular Weight355.78 g/mol
Exact Mass355.09
IUPAC Name2-chloro-N-cyclohexyl-N-ethyl-3,5-dinitrobenzamide
SMILESCCN(C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1Cl)C1CCCCC1
InChIInChI=1S/C15H18ClN3O5/c1-2-17(10-6-4-3-5-7-10)15(20)12-8-11(18(21)22)9-13(14(12)16)19(23)24/h8-10H,2-7H2,1H3
InChIKeyVDZNKPRCFBQJNR-UHFFFAOYSA-N
XLogP3.95
TPSA106.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.78
LogP ≤ 53.95
H-Bond Donors ≤ 50
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

2-chloro-N-cyclohexyl-N-ethyl-5-nitrobenzamide
CID 43081835
N-cyclopentyl-N-ethyl-2-fluoro-4-nitrobenzamide
CID 87024573
2,3-dichloro-N-cyclobutyl-N-methyl-5-nitrobenzamide
CID 107189508
N-cyclopentyl-N-ethyl-5-hydrazinyl-2-nitrobenzamide
CID 62242500
N-cyclohexyl-5-ethoxy-N-ethyl-4-methoxy-2-nitrobenzamide
CID 24632569
N-cyclopropyl-N-ethyl-2-fluoro-5-nitrobenzamide
CID 43377587
3-chloro-2-[cyclopentyl(ethyl)amino]-5-nitrobenzoic acid
CID 107190103
N-cyclopentyl-5-ethoxy-N-ethyl-4-methoxy-2-nitrobenzamide
CID 134060927
2,3-dichloro-N-(cyclopropylmethyl)-N-ethyl-5-nitrobenzamide
CID 107188914
N-cyclopentyl-N-ethyl-3-fluoro-4-nitrobenzamide
CID 62680746
2,3-dichloro-N-cyclopropyl-5-nitro-N-prop-2-enylbenzamide
CID 107189275
2-amino-5-chloro-N-cyclopentyl-N-ethylbenzamide
CID 43540646

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-cyclohexyl-N-ethyl-3,5-dinitrobenzamide?
The IUPAC name of 2-chloro-N-cyclohexyl-N-ethyl-3,5-dinitrobenzamide (CID 4633265) is 2-chloro-N-cyclohexyl-N-ethyl-3,5-dinitrobenzamide.
What is the SMILES notation for 2-chloro-N-cyclohexyl-N-ethyl-3,5-dinitrobenzamide?
The canonical SMILES for 2-chloro-N-cyclohexyl-N-ethyl-3,5-dinitrobenzamide is CCN(C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1Cl)C1CCCCC1.
What is the InChIKey of 2-chloro-N-cyclohexyl-N-ethyl-3,5-dinitrobenzamide?
The InChIKey is VDZNKPRCFBQJNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3O5/c1-2-17(10-6-4-3-5-7-10)15(20)12-8-11(18(21)22)9-13(14(12)16)19(23)24/h8-10H,2-7H2,1H3.
What are the key properties of 2-chloro-N-cyclohexyl-N-ethyl-3,5-dinitrobenzamide?
2-chloro-N-cyclohexyl-N-ethyl-3,5-dinitrobenzamide has a molecular weight of 355.78 g/mol, XLogP of 3.95, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-cyclohexyl-N-ethyl-3,5-dinitrobenzamide is sourced from PubChem (CID 4633265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).