N'-(3-chloro-2-methylphenyl)-N-(4-ethylcyclohexyl)oxamide

C17H23ClN2O2 — CID 124670787

IUPACN'-(3-chloro-2-methylphenyl)-N-(4-ethylcyclohexyl)oxamide
SMILESCCC1CCC(NC(=O)C(=O)Nc2cccc(Cl)c2C)CC1
InChIInChI=1S/C17H23ClN2O2/c1-3-12-7-9-13(10-8-12)19-16(21)17(22)20-15-6-4-5-14(18)11(15)2/h4-6,12-13H,3,7-10H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyKFQOULPAWUEHPA-UHFFFAOYSA-N
MW322.84 g/mol
LogP3.67
Rot. Bonds3

About N'-(3-chloro-2-methylphenyl)-N-(4-ethylcyclohexyl)oxamide

N'-(3-chloro-2-methylphenyl)-N-(4-ethylcyclohexyl)oxamide (PubChem CID 124670787) has the molecular formula C17H23ClN2O2 and a molecular weight of 322.84 g/mol. Its IUPAC name is N'-(3-chloro-2-methylphenyl)-N-(4-ethylcyclohexyl)oxamide.

Molecular Properties

Compound NameN'-(3-chloro-2-methylphenyl)-N-(4-ethylcyclohexyl)oxamide
PubChem CID124670787
Molecular FormulaC17H23ClN2O2
Molecular Weight322.84 g/mol
Exact Mass322.14
IUPAC NameN'-(3-chloro-2-methylphenyl)-N-(4-ethylcyclohexyl)oxamide
SMILESCCC1CCC(NC(=O)C(=O)Nc2cccc(Cl)c2C)CC1
InChIInChI=1S/C17H23ClN2O2/c1-3-12-7-9-13(10-8-12)19-16(21)17(22)20-15-6-4-5-14(18)11(15)2/h4-6,12-13H,3,7-10H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyKFQOULPAWUEHPA-UHFFFAOYSA-N
XLogP3.67
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.84
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N-(4-ethylcyclohexyl)-N'-(3-methylphenyl)oxamide
CID 124505061
2-[4-[2-(3-chloro-2-methylanilino)-2-oxoethyl]piperazin-1-yl]-N-cyclopropyl-2-oxoacetamide
CID 55735131
2-(2,6-dichlorophenyl)-N-(4-ethylcyclohexyl)acetamide
CID 22076137
N'-(3-chloro-2-methylphenyl)-N-(4-ethylphenyl)oxamide
CID 45000329
N'-(2-chlorophenyl)-N-cyclohexyloxamide
CID 7541659
4-[(3-chloro-2-methylphenyl)carbamoylamino]-N-cyclopropylbenzamide
CID 17180528
N-(3-chloro-2-methylphenyl)-3-[[(cyclopropylamino)-(ethylamino)methylidene]amino]propanamide
CID 110988564
1,3-bis(3-chloro-2-methylphenyl)urea
CID 588174
1-(3-chloro-2-methylphenyl)-3-cyclododecylthiourea
CID 2730972
N-cyclopropyl-N'-(2-hydroxyphenyl)oxamide
CID 108514360
N,N'-bis(3-chloro-2-methylphenyl)butanediamide
CID 1226548
N'-(2-ethylphenyl)-N-(4-methylcyclohexyl)oxamide
CID 4297692

Frequently Asked Questions

What is the IUPAC name of N'-(3-chloro-2-methylphenyl)-N-(4-ethylcyclohexyl)oxamide?
The IUPAC name of N'-(3-chloro-2-methylphenyl)-N-(4-ethylcyclohexyl)oxamide (CID 124670787) is N'-(3-chloro-2-methylphenyl)-N-(4-ethylcyclohexyl)oxamide.
What is the SMILES notation for N'-(3-chloro-2-methylphenyl)-N-(4-ethylcyclohexyl)oxamide?
The canonical SMILES for N'-(3-chloro-2-methylphenyl)-N-(4-ethylcyclohexyl)oxamide is CCC1CCC(NC(=O)C(=O)Nc2cccc(Cl)c2C)CC1.
What is the InChIKey of N'-(3-chloro-2-methylphenyl)-N-(4-ethylcyclohexyl)oxamide?
The InChIKey is KFQOULPAWUEHPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23ClN2O2/c1-3-12-7-9-13(10-8-12)19-16(21)17(22)20-15-6-4-5-14(18)11(15)2/h4-6,12-13H,3,7-10H2,1-2H3,(H,19,21)(H,20,22).
What are the key properties of N'-(3-chloro-2-methylphenyl)-N-(4-ethylcyclohexyl)oxamide?
N'-(3-chloro-2-methylphenyl)-N-(4-ethylcyclohexyl)oxamide has a molecular weight of 322.84 g/mol, XLogP of 3.67, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-chloro-2-methylphenyl)-N-(4-ethylcyclohexyl)oxamide is sourced from PubChem (CID 124670787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).