2,2,2-trifluoro-N-[[2-[4-(4-oxoquinolin-1-yl)phenyl]phenyl]methyl]acetamide

C24H17F3N2O2 — CID 87276567

IUPAC2,2,2-trifluoro-N-[[2-[4-(4-oxoquinolin-1-yl)phenyl]phenyl]methyl]acetamide
SMILESO=C(NCc1ccccc1-c1ccc(-n2ccc(=O)c3ccccc32)cc1)C(F)(F)F
InChIInChI=1S/C24H17F3N2O2/c25-24(26,27)23(31)28-15-17-5-1-2-6-19(17)16-9-11-18(12-10-16)29-14-13-22(30)20-7-3-4-8-21(20)29/h1-14H,15H2,(H,28,31)
InChIKeyGUKAXIURQBIITB-UHFFFAOYSA-N
MW422.41 g/mol
LogP4.84
Rot. Bonds4

About 2,2,2-trifluoro-N-[[2-[4-(4-oxoquinolin-1-yl)phenyl]phenyl]methyl]acetamide

2,2,2-trifluoro-N-[[2-[4-(4-oxoquinolin-1-yl)phenyl]phenyl]methyl]acetamide (PubChem CID 87276567) has the molecular formula C24H17F3N2O2 and a molecular weight of 422.41 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[[2-[4-(4-oxoquinolin-1-yl)phenyl]phenyl]methyl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[[2-[4-(4-oxoquinolin-1-yl)phenyl]phenyl]methyl]acetamide
PubChem CID87276567
Molecular FormulaC24H17F3N2O2
Molecular Weight422.41 g/mol
Exact Mass422.12
IUPAC Name2,2,2-trifluoro-N-[[2-[4-(4-oxoquinolin-1-yl)phenyl]phenyl]methyl]acetamide
SMILESO=C(NCc1ccccc1-c1ccc(-n2ccc(=O)c3ccccc32)cc1)C(F)(F)F
InChIInChI=1S/C24H17F3N2O2/c25-24(26,27)23(31)28-15-17-5-1-2-6-19(17)16-9-11-18(12-10-16)29-14-13-22(30)20-7-3-4-8-21(20)29/h1-14H,15H2,(H,28,31)
InChIKeyGUKAXIURQBIITB-UHFFFAOYSA-N
XLogP4.84
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.41
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2,2,2-trifluoro-N-[[2-[4-(4-oxoquinolin-1-yl)phenyl]phenyl]methyl]acetamide with MolForge

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Related Compounds

ethyl 6-[4-(2-methylsulfonylphenyl)phenyl]-7-oxo-1-[2-[[(2,2,2-trifluoroacetyl)amino]methyl]phenyl]pyrazolo[4,5-d]pyrimidine-3-carboxylate
CID 20760220
2,2,2-trifluoro-N-[[2-[6-[4-(2-methylsulfonylphenyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]phenyl]methyl]acetamide
CID 20760180
4-(1,3-dioxoisoindol-2-yl)-N-[[2-[(2,2,2-trifluoroacetyl)amino]phenyl]methyl]butanamide
CID 108934170
(2-phenylphenyl)methylurea
CID 67020414
2-[[2-[4-(trifluoromethyl)phenyl]phenyl]methylamino]acetamide
CID 19105323
1-(trifluoromethyl)quinolin-4-one
CID 91004636
N-[[2-(4-aminophenyl)phenyl]methylsulfonyl]-2,2,2-trifluoroacetamide
CID 87326085
2,2,2-trifluoro-N-[(2-morpholin-4-ylphenyl)methyl]acetamide
CID 110443194
1-(3,3-dimethyl-2-oxobutyl)quinolin-4-one
CID 62024225
1-[[2-(4-chlorophenyl)phenyl]methyl]-3-(2-hydroxyethyl)urea
CID 110923275
2,2,2-trifluoro-N-(2-indol-1-ylethyl)acetamide
CID 108750477
N-[[2-(4-chlorophenyl)phenyl]methyl]-2-(cyclopropylmethylamino)acetamide;hydrochloride
CID 119768238

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[[2-[4-(4-oxoquinolin-1-yl)phenyl]phenyl]methyl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[[2-[4-(4-oxoquinolin-1-yl)phenyl]phenyl]methyl]acetamide (CID 87276567) is 2,2,2-trifluoro-N-[[2-[4-(4-oxoquinolin-1-yl)phenyl]phenyl]methyl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[[2-[4-(4-oxoquinolin-1-yl)phenyl]phenyl]methyl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[[2-[4-(4-oxoquinolin-1-yl)phenyl]phenyl]methyl]acetamide is O=C(NCc1ccccc1-c1ccc(-n2ccc(=O)c3ccccc32)cc1)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-[[2-[4-(4-oxoquinolin-1-yl)phenyl]phenyl]methyl]acetamide?
The InChIKey is GUKAXIURQBIITB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17F3N2O2/c25-24(26,27)23(31)28-15-17-5-1-2-6-19(17)16-9-11-18(12-10-16)29-14-13-22(30)20-7-3-4-8-21(20)29/h1-14H,15H2,(H,28,31).
What are the key properties of 2,2,2-trifluoro-N-[[2-[4-(4-oxoquinolin-1-yl)phenyl]phenyl]methyl]acetamide?
2,2,2-trifluoro-N-[[2-[4-(4-oxoquinolin-1-yl)phenyl]phenyl]methyl]acetamide has a molecular weight of 422.41 g/mol, XLogP of 4.84, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[[2-[4-(4-oxoquinolin-1-yl)phenyl]phenyl]methyl]acetamide is sourced from PubChem (CID 87276567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).