3-(2-fluorophenyl)-N-quinolin-5-yl-2-[4-(trifluoromethyl)phenyl]propanamide

C25H18F4N2O — CID 46175882

IUPAC3-(2-fluorophenyl)-N-quinolin-5-yl-2-[4-(trifluoromethyl)phenyl]propanamide
SMILESO=C(Nc1cccc2ncccc12)C(Cc1ccccc1F)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C25H18F4N2O/c26-21-7-2-1-5-17(21)15-20(16-10-12-18(13-11-16)25(27,28)29)24(32)31-23-9-3-8-22-19(23)6-4-14-30-22/h1-14,20H,15H2,(H,31,32)
InChIKeyCFCBXSDIKQXAEK-UHFFFAOYSA-N
MW438.42 g/mol
LogP6.36
Rot. Bonds5

About 3-(2-fluorophenyl)-N-quinolin-5-yl-2-[4-(trifluoromethyl)phenyl]propanamide

3-(2-fluorophenyl)-N-quinolin-5-yl-2-[4-(trifluoromethyl)phenyl]propanamide (PubChem CID 46175882) has the molecular formula C25H18F4N2O and a molecular weight of 438.42 g/mol. Its IUPAC name is 3-(2-fluorophenyl)-N-quinolin-5-yl-2-[4-(trifluoromethyl)phenyl]propanamide.

Molecular Properties

Compound Name3-(2-fluorophenyl)-N-quinolin-5-yl-2-[4-(trifluoromethyl)phenyl]propanamide
PubChem CID46175882
Molecular FormulaC25H18F4N2O
Molecular Weight438.42 g/mol
Exact Mass438.14
IUPAC Name3-(2-fluorophenyl)-N-quinolin-5-yl-2-[4-(trifluoromethyl)phenyl]propanamide
SMILESO=C(Nc1cccc2ncccc12)C(Cc1ccccc1F)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C25H18F4N2O/c26-21-7-2-1-5-17(21)15-20(16-10-12-18(13-11-16)25(27,28)29)24(32)31-23-9-3-8-22-19(23)6-4-14-30-22/h1-14,20H,15H2,(H,31,32)
InChIKeyCFCBXSDIKQXAEK-UHFFFAOYSA-N
XLogP6.36
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.42
LogP ≤ 56.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-quinolin-4-yl-3-[(S)-[4-(trifluoromethyl)phenyl]-[3-(trifluoromethyl)-2-pyridinyl]methyl]urea
CID 71487105
2-bromo-N-quinolin-5-ylpropanamide
CID 107902854
2-methylsulfanyl-N-quinolin-5-ylpropanamide
CID 47188211
2,3-dimethyl-4-oxo-4-(quinolin-5-ylamino)butanoic acid
CID 103496081
N-quinolin-5-yl-2-(trifluoromethyl)benzamide
CID 26242319
2-phenoxy-N-quinolin-5-ylpropanamide
CID 18076800
3-hydroxy-3-phenyl-N-quinolin-5-ylbutanamide
CID 110024307
3,3-dimethyl-N-quinolin-5-ylbutanamide
CID 24654624
1-[(2R)-butan-2-yl]-3-quinolin-5-ylurea
CID 51928178
2-phenyl-2-pyrrol-1-yl-N-quinolin-5-ylacetamide
CID 52992860
2-amino-N-quinolin-5-ylhexanamide
CID 54928381
(2S)-2-[benzyl(methyl)amino]-N-quinolin-5-ylpropanamide
CID 32727431

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorophenyl)-N-quinolin-5-yl-2-[4-(trifluoromethyl)phenyl]propanamide?
The IUPAC name of 3-(2-fluorophenyl)-N-quinolin-5-yl-2-[4-(trifluoromethyl)phenyl]propanamide (CID 46175882) is 3-(2-fluorophenyl)-N-quinolin-5-yl-2-[4-(trifluoromethyl)phenyl]propanamide.
What is the SMILES notation for 3-(2-fluorophenyl)-N-quinolin-5-yl-2-[4-(trifluoromethyl)phenyl]propanamide?
The canonical SMILES for 3-(2-fluorophenyl)-N-quinolin-5-yl-2-[4-(trifluoromethyl)phenyl]propanamide is O=C(Nc1cccc2ncccc12)C(Cc1ccccc1F)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 3-(2-fluorophenyl)-N-quinolin-5-yl-2-[4-(trifluoromethyl)phenyl]propanamide?
The InChIKey is CFCBXSDIKQXAEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18F4N2O/c26-21-7-2-1-5-17(21)15-20(16-10-12-18(13-11-16)25(27,28)29)24(32)31-23-9-3-8-22-19(23)6-4-14-30-22/h1-14,20H,15H2,(H,31,32).
What are the key properties of 3-(2-fluorophenyl)-N-quinolin-5-yl-2-[4-(trifluoromethyl)phenyl]propanamide?
3-(2-fluorophenyl)-N-quinolin-5-yl-2-[4-(trifluoromethyl)phenyl]propanamide has a molecular weight of 438.42 g/mol, XLogP of 6.36, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorophenyl)-N-quinolin-5-yl-2-[4-(trifluoromethyl)phenyl]propanamide is sourced from PubChem (CID 46175882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).