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

C22H16ClF3N2O2 — CID 108507995

IUPACN'-benzhydryl-N-[4-chloro-3-(trifluoromethyl)phenyl]oxamide
SMILESO=C(Nc1ccc(Cl)c(C(F)(F)F)c1)C(=O)NC(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H16ClF3N2O2/c23-18-12-11-16(13-17(18)22(24,25)26)27-20(29)21(30)28-19(14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-13,19H,(H,27,29)(H,28,30)
InChIKeyICCCIZJPKDCTFF-UHFFFAOYSA-N
MW432.83 g/mol
LogP5.20
Rot. Bonds4

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

N'-benzhydryl-N-[4-chloro-3-(trifluoromethyl)phenyl]oxamide (PubChem CID 108507995) has the molecular formula C22H16ClF3N2O2 and a molecular weight of 432.83 g/mol. Its IUPAC name is N'-benzhydryl-N-[4-chloro-3-(trifluoromethyl)phenyl]oxamide.

Molecular Properties

Compound NameN'-benzhydryl-N-[4-chloro-3-(trifluoromethyl)phenyl]oxamide
PubChem CID108507995
Molecular FormulaC22H16ClF3N2O2
Molecular Weight432.83 g/mol
Exact Mass432.09
IUPAC NameN'-benzhydryl-N-[4-chloro-3-(trifluoromethyl)phenyl]oxamide
SMILESO=C(Nc1ccc(Cl)c(C(F)(F)F)c1)C(=O)NC(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H16ClF3N2O2/c23-18-12-11-16(13-17(18)22(24,25)26)27-20(29)21(30)28-19(14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-13,19H,(H,27,29)(H,28,30)
InChIKeyICCCIZJPKDCTFF-UHFFFAOYSA-N
XLogP5.20
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.83
LogP ≤ 55.20
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

(Z)-3-(benzhydrylamino)-N-[4-chloro-3-(trifluoromethyl)phenyl]-2-cyanoprop-2-enamide
CID 108858894
N-(4-amino-3-chlorophenyl)-N'-benzhydryloxamide
CID 108507997
N-[4-chloro-3-(trifluoromethyl)phenyl]-N'-(2-fluorophenyl)oxamide
CID 108515782
1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[(S)-(4-methylphenyl)-phenylmethyl]thiourea
CID 100660449
N-[4-chloro-3-(trifluoromethyl)phenyl]-N'-pyridin-2-yloxamide
CID 108515817
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(1-phenylethylamino)acetamide
CID 84867134
1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[(R)-(3-methylphenyl)-phenylmethyl]thiourea
CID 100727004
2-bromo-N-[4-chloro-3-(trifluoromethyl)phenyl]-3-phenylprop-2-enamide
CID 4072285
N-[4-chloro-3-(trifluoromethyl)phenyl]-N'-[[2-(trifluoromethyl)phenyl]methylideneamino]oxamide
CID 3470850
N'-benzyl-N-[4-chloro-3-(trifluoromethyl)phenyl]-N'-propan-2-yloxamide
CID 108503417
N-[4-chloro-3-(trifluoromethyl)phenyl]-3-(1-phenylethylamino)propanamide
CID 109020364
[(1S)-2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxo-1-phenylethyl] cyclopropanecarboxylate
CID 7863182

Frequently Asked Questions

What is the IUPAC name of N'-benzhydryl-N-[4-chloro-3-(trifluoromethyl)phenyl]oxamide?
The IUPAC name of N'-benzhydryl-N-[4-chloro-3-(trifluoromethyl)phenyl]oxamide (CID 108507995) is N'-benzhydryl-N-[4-chloro-3-(trifluoromethyl)phenyl]oxamide.
What is the SMILES notation for N'-benzhydryl-N-[4-chloro-3-(trifluoromethyl)phenyl]oxamide?
The canonical SMILES for N'-benzhydryl-N-[4-chloro-3-(trifluoromethyl)phenyl]oxamide is O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)C(=O)NC(c1ccccc1)c1ccccc1.
What is the InChIKey of N'-benzhydryl-N-[4-chloro-3-(trifluoromethyl)phenyl]oxamide?
The InChIKey is ICCCIZJPKDCTFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16ClF3N2O2/c23-18-12-11-16(13-17(18)22(24,25)26)27-20(29)21(30)28-19(14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-13,19H,(H,27,29)(H,28,30).
What are the key properties of N'-benzhydryl-N-[4-chloro-3-(trifluoromethyl)phenyl]oxamide?
N'-benzhydryl-N-[4-chloro-3-(trifluoromethyl)phenyl]oxamide has a molecular weight of 432.83 g/mol, XLogP of 5.20, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-benzhydryl-N-[4-chloro-3-(trifluoromethyl)phenyl]oxamide is sourced from PubChem (CID 108507995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).