2-(benzhydrylamino)-N-[4-(trifluoromethyl)phenyl]acetamide

C22H19F3N2O — CID 2451774

IUPAC2-(benzhydrylamino)-N-[4-(trifluoromethyl)phenyl]acetamide
SMILESO=C(CNC(c1ccccc1)c1ccccc1)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C22H19F3N2O/c23-22(24,25)18-11-13-19(14-12-18)27-20(28)15-26-21(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-14,21,26H,15H2,(H,27,28)
InChIKeyOQXJOJMNLIHQJN-UHFFFAOYSA-N
MW384.40 g/mol
LogP5.02
Rot. Bonds6

About 2-(benzhydrylamino)-N-[4-(trifluoromethyl)phenyl]acetamide

2-(benzhydrylamino)-N-[4-(trifluoromethyl)phenyl]acetamide (PubChem CID 2451774) has the molecular formula C22H19F3N2O and a molecular weight of 384.40 g/mol. Its IUPAC name is 2-(benzhydrylamino)-N-[4-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(benzhydrylamino)-N-[4-(trifluoromethyl)phenyl]acetamide
PubChem CID2451774
Molecular FormulaC22H19F3N2O
Molecular Weight384.40 g/mol
Exact Mass384.14
IUPAC Name2-(benzhydrylamino)-N-[4-(trifluoromethyl)phenyl]acetamide
SMILESO=C(CNC(c1ccccc1)c1ccccc1)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C22H19F3N2O/c23-22(24,25)18-11-13-19(14-12-18)27-20(28)15-26-21(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-14,21,26H,15H2,(H,27,28)
InChIKeyOQXJOJMNLIHQJN-UHFFFAOYSA-N
XLogP5.02
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.40
LogP ≤ 55.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(benzhydrylamino)-N-(4-hydroxyphenyl)acetamide
CID 34683511
N-(4-methylphenyl)-2-[[(S)-(4-methylphenyl)-phenylmethyl]amino]acetamide
CID 9392626
1-benzhydryl-3-[4-(trifluoromethyl)phenyl]urea
CID 108867584
2-(phenylcarbamoylamino)-N-[4-(trifluoromethyl)phenyl]acetamide
CID 770706
2-benzhydrylsulfanyl-N-[4-(trifluoromethyl)phenyl]acetamide
CID 7961955
3-(1-phenylethylamino)-N-[4-(trifluoromethyl)phenyl]propanamide
CID 109020331
N-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]-2-phenylacetamide
CID 26686373
2-[[(R)-(4-methylphenyl)-phenylmethyl]amino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 9393079
methyl 4-[[2-[[(R)-(4-methylphenyl)-phenylmethyl]amino]acetyl]amino]benzoate
CID 9392902
4-[[2-[[(4-fluorophenyl)-phenylmethyl]amino]acetyl]amino]-N,N-dimethylbenzamide
CID 60537205
2-chloro-2-phenyl-N-[4-(trifluoromethyl)phenyl]acetamide
CID 43082478
2-(benzhydrylamino)-N-(2,3-dihydro-1H-inden-5-yl)acetamide
CID 7516034

Frequently Asked Questions

What is the IUPAC name of 2-(benzhydrylamino)-N-[4-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-(benzhydrylamino)-N-[4-(trifluoromethyl)phenyl]acetamide (CID 2451774) is 2-(benzhydrylamino)-N-[4-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-(benzhydrylamino)-N-[4-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-(benzhydrylamino)-N-[4-(trifluoromethyl)phenyl]acetamide is O=C(CNC(c1ccccc1)c1ccccc1)Nc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2-(benzhydrylamino)-N-[4-(trifluoromethyl)phenyl]acetamide?
The InChIKey is OQXJOJMNLIHQJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19F3N2O/c23-22(24,25)18-11-13-19(14-12-18)27-20(28)15-26-21(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-14,21,26H,15H2,(H,27,28).
What are the key properties of 2-(benzhydrylamino)-N-[4-(trifluoromethyl)phenyl]acetamide?
2-(benzhydrylamino)-N-[4-(trifluoromethyl)phenyl]acetamide has a molecular weight of 384.40 g/mol, XLogP of 5.02, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzhydrylamino)-N-[4-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 2451774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).