N-[(2-chlorophenyl)methyl]-N'-[2-(trifluoromethyl)phenyl]oxamide

C16H12ClF3N2O2 — CID 45000500

IUPACN-[(2-chlorophenyl)methyl]-N'-[2-(trifluoromethyl)phenyl]oxamide
SMILESO=C(NCc1ccccc1Cl)C(=O)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C16H12ClF3N2O2/c17-12-7-3-1-5-10(12)9-21-14(23)15(24)22-13-8-4-2-6-11(13)16(18,19)20/h1-8H,9H2,(H,21,23)(H,22,24)
InChIKeyNOFLOYCTXWTAHG-UHFFFAOYSA-N
MW356.73 g/mol
LogP3.61
Rot. Bonds3

About N-[(2-chlorophenyl)methyl]-N'-[2-(trifluoromethyl)phenyl]oxamide

N-[(2-chlorophenyl)methyl]-N'-[2-(trifluoromethyl)phenyl]oxamide (PubChem CID 45000500) has the molecular formula C16H12ClF3N2O2 and a molecular weight of 356.73 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-N'-[2-(trifluoromethyl)phenyl]oxamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-N'-[2-(trifluoromethyl)phenyl]oxamide
PubChem CID45000500
Molecular FormulaC16H12ClF3N2O2
Molecular Weight356.73 g/mol
Exact Mass356.05
IUPAC NameN-[(2-chlorophenyl)methyl]-N'-[2-(trifluoromethyl)phenyl]oxamide
SMILESO=C(NCc1ccccc1Cl)C(=O)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C16H12ClF3N2O2/c17-12-7-3-1-5-10(12)9-21-14(23)15(24)22-13-8-4-2-6-11(13)16(18,19)20/h1-8H,9H2,(H,21,23)(H,22,24)
InChIKeyNOFLOYCTXWTAHG-UHFFFAOYSA-N
XLogP3.61
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.73
LogP ≤ 53.61
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-[(2-chlorophenyl)methyl]-N'-(2-ethylphenyl)oxamide
CID 2266307
N,N'-bis[2-(trifluoromethyl)phenyl]oxamide
CID 3696493
1-(2-chlorophenyl)-3-[[2-(trifluoromethyl)phenyl]methyl]urea
CID 51046194
N'-[3,5-bis(trifluoromethyl)phenyl]-N-[(2-chlorophenyl)methyl]oxamide
CID 108506154
N'-(2-chlorophenyl)-N-[(2-methylphenyl)methyl]oxamide
CID 2174333
N'-(2-butan-2-ylphenyl)-N-[(2-chlorophenyl)methyl]oxamide
CID 108506189
N-[(2-chlorophenyl)methyl]-N'-(3,5-dichlorophenyl)oxamide
CID 108506161
N-prop-2-enyl-N'-[2-(trifluoromethyl)phenyl]oxamide
CID 45000430
N'-[2-chloro-5-(trifluoromethyl)phenyl]-N-[(2-fluorophenyl)methyl]oxamide
CID 108984915
N'-(4-anilinophenyl)-N-[(2-chlorophenyl)methyl]oxamide
CID 108506114
N-[(2-chlorophenyl)methyl]-N'-[(2S)-3,3,3-trifluoro-2-hydroxy-2-phenylpropyl]oxamide
CID 95367454
N-(4-hydroxy-2,2-dimethylbutyl)-N'-[2-(trifluoromethyl)phenyl]oxamide
CID 111491182

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-N'-[2-(trifluoromethyl)phenyl]oxamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-N'-[2-(trifluoromethyl)phenyl]oxamide (CID 45000500) is N-[(2-chlorophenyl)methyl]-N'-[2-(trifluoromethyl)phenyl]oxamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-N'-[2-(trifluoromethyl)phenyl]oxamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-N'-[2-(trifluoromethyl)phenyl]oxamide is O=C(NCc1ccccc1Cl)C(=O)Nc1ccccc1C(F)(F)F.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-N'-[2-(trifluoromethyl)phenyl]oxamide?
The InChIKey is NOFLOYCTXWTAHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClF3N2O2/c17-12-7-3-1-5-10(12)9-21-14(23)15(24)22-13-8-4-2-6-11(13)16(18,19)20/h1-8H,9H2,(H,21,23)(H,22,24).
What are the key properties of N-[(2-chlorophenyl)methyl]-N'-[2-(trifluoromethyl)phenyl]oxamide?
N-[(2-chlorophenyl)methyl]-N'-[2-(trifluoromethyl)phenyl]oxamide has a molecular weight of 356.73 g/mol, XLogP of 3.61, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-N'-[2-(trifluoromethyl)phenyl]oxamide is sourced from PubChem (CID 45000500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).