N-(2-chloro-5-nitrophenyl)-N'-cyclohexyl-N'-methyloxamide

C15H18ClN3O4 — CID 108503669

IUPACN-(2-chloro-5-nitrophenyl)-N'-cyclohexyl-N'-methyloxamide
SMILESCN(C(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)C1CCCCC1
InChIInChI=1S/C15H18ClN3O4/c1-18(10-5-3-2-4-6-10)15(21)14(20)17-13-9-11(19(22)23)7-8-12(13)16/h7-10H,2-6H2,1H3,(H,17,20)
InChIKeyPASKDFBQEHGOHE-UHFFFAOYSA-N
MW339.78 g/mol
LogP2.98
Rot. Bonds3

About N-(2-chloro-5-nitrophenyl)-N'-cyclohexyl-N'-methyloxamide

N-(2-chloro-5-nitrophenyl)-N'-cyclohexyl-N'-methyloxamide (PubChem CID 108503669) has the molecular formula C15H18ClN3O4 and a molecular weight of 339.78 g/mol. Its IUPAC name is N-(2-chloro-5-nitrophenyl)-N'-cyclohexyl-N'-methyloxamide.

Molecular Properties

Compound NameN-(2-chloro-5-nitrophenyl)-N'-cyclohexyl-N'-methyloxamide
PubChem CID108503669
Molecular FormulaC15H18ClN3O4
Molecular Weight339.78 g/mol
Exact Mass339.10
IUPAC NameN-(2-chloro-5-nitrophenyl)-N'-cyclohexyl-N'-methyloxamide
SMILESCN(C(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)C1CCCCC1
InChIInChI=1S/C15H18ClN3O4/c1-18(10-5-3-2-4-6-10)15(21)14(20)17-13-9-11(19(22)23)7-8-12(13)16/h7-10H,2-6H2,1H3,(H,17,20)
InChIKeyPASKDFBQEHGOHE-UHFFFAOYSA-N
XLogP2.98
TPSA92.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.78
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-(2-chloro-5-nitrophenyl)-N'-cyclohexyl-N'-methyloxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(2-chloro-5-nitrophenyl)-1-cyclohexyl-1-methylthiourea
CID 7942200
N-(2-chloro-5-nitrophenyl)cyclopentanecarboxamide
CID 3328089
(Z)-N-(2-chloro-5-nitrophenyl)-2-cyano-3-(cyclododecylamino)prop-2-enamide
CID 108853734
N-(5-chloro-2-methylphenyl)-N'-cyclohexyl-N'-methyloxamide
CID 108503660
N,N'-bis(2-chloro-5-nitrophenyl)-2,2,3,3-tetrafluorobutanediamide
CID 3519654
N'-acetyl-N'-(2-aminoethyl)-N-(2-chloro-5-nitrophenyl)oxamide
CID 108513563
N-(2-chloro-5-nitrophenyl)-2-[(2S)-2-methylpiperidin-1-ium-1-yl]acetamide
CID 7815371
N-(2-chloro-4-nitrophenyl)-2-[cyclohexyl(methyl)amino]propanamide
CID 3400010
3-(2-chloro-5-nitrophenyl)-1-[(3R)-1,1-dioxothiolan-3-yl]-1-methylthiourea
CID 7504102
N-(2-chloro-5-nitrophenyl)-N'-(2,5-difluorophenyl)oxamide
CID 108513618
N-(2-chloro-5-nitrophenyl)-2-(cyclopentylamino)acetamide
CID 60648529
N-(2-chloro-5-nitrophenyl)-2-(dimethylamino)acetamide
CID 11043415

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-5-nitrophenyl)-N'-cyclohexyl-N'-methyloxamide?
The IUPAC name of N-(2-chloro-5-nitrophenyl)-N'-cyclohexyl-N'-methyloxamide (CID 108503669) is N-(2-chloro-5-nitrophenyl)-N'-cyclohexyl-N'-methyloxamide.
What is the SMILES notation for N-(2-chloro-5-nitrophenyl)-N'-cyclohexyl-N'-methyloxamide?
The canonical SMILES for N-(2-chloro-5-nitrophenyl)-N'-cyclohexyl-N'-methyloxamide is CN(C(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)C1CCCCC1.
What is the InChIKey of N-(2-chloro-5-nitrophenyl)-N'-cyclohexyl-N'-methyloxamide?
The InChIKey is PASKDFBQEHGOHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3O4/c1-18(10-5-3-2-4-6-10)15(21)14(20)17-13-9-11(19(22)23)7-8-12(13)16/h7-10H,2-6H2,1H3,(H,17,20).
What are the key properties of N-(2-chloro-5-nitrophenyl)-N'-cyclohexyl-N'-methyloxamide?
N-(2-chloro-5-nitrophenyl)-N'-cyclohexyl-N'-methyloxamide has a molecular weight of 339.78 g/mol, XLogP of 2.98, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-5-nitrophenyl)-N'-cyclohexyl-N'-methyloxamide is sourced from PubChem (CID 108503669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).