N'-[4-chloro-3-(trifluoromethyl)phenyl]-N-cyclohexyloxamide

C15H16ClF3N2O2 — CID 108504354

IUPACN'-[4-chloro-3-(trifluoromethyl)phenyl]-N-cyclohexyloxamide
SMILESO=C(Nc1ccc(Cl)c(C(F)(F)F)c1)C(=O)NC1CCCCC1
InChIInChI=1S/C15H16ClF3N2O2/c16-12-7-6-10(8-11(12)15(17,18)19)21-14(23)13(22)20-9-4-2-1-3-5-9/h6-9H,1-5H2,(H,20,22)(H,21,23)
InChIKeyWDUUMOXBWQYBFY-UHFFFAOYSA-N
MW348.75 g/mol
LogP3.75
Rot. Bonds2

About N'-[4-chloro-3-(trifluoromethyl)phenyl]-N-cyclohexyloxamide

N'-[4-chloro-3-(trifluoromethyl)phenyl]-N-cyclohexyloxamide (PubChem CID 108504354) has the molecular formula C15H16ClF3N2O2 and a molecular weight of 348.75 g/mol. Its IUPAC name is N'-[4-chloro-3-(trifluoromethyl)phenyl]-N-cyclohexyloxamide.

Molecular Properties

Compound NameN'-[4-chloro-3-(trifluoromethyl)phenyl]-N-cyclohexyloxamide
PubChem CID108504354
Molecular FormulaC15H16ClF3N2O2
Molecular Weight348.75 g/mol
Exact Mass348.09
IUPAC NameN'-[4-chloro-3-(trifluoromethyl)phenyl]-N-cyclohexyloxamide
SMILESO=C(Nc1ccc(Cl)c(C(F)(F)F)c1)C(=O)NC1CCCCC1
InChIInChI=1S/C15H16ClF3N2O2/c16-12-7-6-10(8-11(12)15(17,18)19)21-14(23)13(22)20-9-4-2-1-3-5-9/h6-9H,1-5H2,(H,20,22)(H,21,23)
InChIKeyWDUUMOXBWQYBFY-UHFFFAOYSA-N
XLogP3.75
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.75
LogP ≤ 53.75
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-cyclohexyl-N'-(3,4-dichlorophenyl)oxamide
CID 2058101
N-cyclopentyl-N'-(3,4-dichlorophenyl)oxamide
CID 2059042
1-[4-chloro-3-(trifluoromethyl)phenyl]-3-cycloheptylthiourea
CID 100601519
N-cyclopropyl-N'-(3,4-dichlorophenyl)oxamide
CID 2193894
3-[4-chloro-3-(trifluoromethyl)anilino]-N-cyclohexylpropanamide
CID 109014086
N-cyclopentyl-N'-[4-(trifluoromethyl)phenyl]oxamide
CID 18588731
(Z)-3-[4-chloro-3-(trifluoromethyl)anilino]-2-cyano-N-cyclopentylprop-2-enamide
CID 108835512
N-[4-chloro-3-(trifluoromethyl)phenyl]-5-(cyclopentylamino)pyridine-2-carboxamide
CID 109182511
N-[4-chloro-3-(trifluoromethyl)phenyl]cyclopropanecarboxamide
CID 3121382
2-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]-N-cyclopropylacetamide
CID 84515951
N-[4-chloro-3-(trifluoromethyl)phenyl]-4-(cyclopropylcarbamoylamino)benzamide
CID 39899500
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(2,6-dimethylpiperidin-1-yl)-2-oxoacetamide
CID 108515809

Frequently Asked Questions

What is the IUPAC name of N'-[4-chloro-3-(trifluoromethyl)phenyl]-N-cyclohexyloxamide?
The IUPAC name of N'-[4-chloro-3-(trifluoromethyl)phenyl]-N-cyclohexyloxamide (CID 108504354) is N'-[4-chloro-3-(trifluoromethyl)phenyl]-N-cyclohexyloxamide.
What is the SMILES notation for N'-[4-chloro-3-(trifluoromethyl)phenyl]-N-cyclohexyloxamide?
The canonical SMILES for N'-[4-chloro-3-(trifluoromethyl)phenyl]-N-cyclohexyloxamide is O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)C(=O)NC1CCCCC1.
What is the InChIKey of N'-[4-chloro-3-(trifluoromethyl)phenyl]-N-cyclohexyloxamide?
The InChIKey is WDUUMOXBWQYBFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClF3N2O2/c16-12-7-6-10(8-11(12)15(17,18)19)21-14(23)13(22)20-9-4-2-1-3-5-9/h6-9H,1-5H2,(H,20,22)(H,21,23).
What are the key properties of N'-[4-chloro-3-(trifluoromethyl)phenyl]-N-cyclohexyloxamide?
N'-[4-chloro-3-(trifluoromethyl)phenyl]-N-cyclohexyloxamide has a molecular weight of 348.75 g/mol, XLogP of 3.75, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-chloro-3-(trifluoromethyl)phenyl]-N-cyclohexyloxamide is sourced from PubChem (CID 108504354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).