3-(4-fluorophenyl)-N-[2-[(2,2,2-trifluoroacetyl)amino]phenyl]propanamide

C17H14F4N2O2 — CID 108933554

IUPAC3-(4-fluorophenyl)-N-[2-[(2,2,2-trifluoroacetyl)amino]phenyl]propanamide
SMILESO=C(CCc1ccc(F)cc1)Nc1ccccc1NC(=O)C(F)(F)F
InChIInChI=1S/C17H14F4N2O2/c18-12-8-5-11(6-9-12)7-10-15(24)22-13-3-1-2-4-14(13)23-16(25)17(19,20)21/h1-6,8-9H,7,10H2,(H,22,24)(H,23,25)
InChIKeyRUYQENSYJDHDHG-UHFFFAOYSA-N
MW354.30 g/mol
LogP3.90
Rot. Bonds5

About 3-(4-fluorophenyl)-N-[2-[(2,2,2-trifluoroacetyl)amino]phenyl]propanamide

3-(4-fluorophenyl)-N-[2-[(2,2,2-trifluoroacetyl)amino]phenyl]propanamide (PubChem CID 108933554) has the molecular formula C17H14F4N2O2 and a molecular weight of 354.30 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-N-[2-[(2,2,2-trifluoroacetyl)amino]phenyl]propanamide.

Molecular Properties

Compound Name3-(4-fluorophenyl)-N-[2-[(2,2,2-trifluoroacetyl)amino]phenyl]propanamide
PubChem CID108933554
Molecular FormulaC17H14F4N2O2
Molecular Weight354.30 g/mol
Exact Mass354.10
IUPAC Name3-(4-fluorophenyl)-N-[2-[(2,2,2-trifluoroacetyl)amino]phenyl]propanamide
SMILESO=C(CCc1ccc(F)cc1)Nc1ccccc1NC(=O)C(F)(F)F
InChIInChI=1S/C17H14F4N2O2/c18-12-8-5-11(6-9-12)7-10-15(24)22-13-3-1-2-4-14(13)23-16(25)17(19,20)21/h1-6,8-9H,7,10H2,(H,22,24)(H,23,25)
InChIKeyRUYQENSYJDHDHG-UHFFFAOYSA-N
XLogP3.90
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.30
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-fluorophenyl)-N-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]propanamide
CID 110622806
N-(2-bromophenyl)-3-(4-fluorophenyl)propanamide
CID 51194781
2,2,3,3,4,4,4-heptafluoro-N-[2-(3-phenylpropanoylamino)phenyl]butanamide
CID 177391846
methyl 2-[3-(4-fluorophenyl)propanoylamino]benzoate
CID 32989548
ethyl 2-[3-(4-fluorophenyl)propanoylamino]benzoate
CID 27844298
3-(4-fluorophenyl)-N-[4-(trifluoromethyl)phenyl]propanamide
CID 27844351
3-(4-chlorophenyl)-N-[2-(trifluoromethyl)phenyl]propanamide
CID 19220927
3-(4-fluorophenyl)-N-(2-methoxy-3-methylphenyl)propanamide
CID 71104305
2-[3-(4-fluorophenyl)propanoylamino]-N-[(1R)-1-phenylethyl]benzamide
CID 92540792
2-[3-(4-fluorophenyl)propanoylamino]-N-[(1S)-1-phenylethyl]benzamide
CID 92540793
N-(4-fluoro-2-methylphenyl)-3-phenylpropanamide
CID 7751880
3-(4-methoxyphenyl)-N-[2-(2,2,2-trifluoroethylamino)phenyl]propanamide
CID 47829673

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-N-[2-[(2,2,2-trifluoroacetyl)amino]phenyl]propanamide?
The IUPAC name of 3-(4-fluorophenyl)-N-[2-[(2,2,2-trifluoroacetyl)amino]phenyl]propanamide (CID 108933554) is 3-(4-fluorophenyl)-N-[2-[(2,2,2-trifluoroacetyl)amino]phenyl]propanamide.
What is the SMILES notation for 3-(4-fluorophenyl)-N-[2-[(2,2,2-trifluoroacetyl)amino]phenyl]propanamide?
The canonical SMILES for 3-(4-fluorophenyl)-N-[2-[(2,2,2-trifluoroacetyl)amino]phenyl]propanamide is O=C(CCc1ccc(F)cc1)Nc1ccccc1NC(=O)C(F)(F)F.
What is the InChIKey of 3-(4-fluorophenyl)-N-[2-[(2,2,2-trifluoroacetyl)amino]phenyl]propanamide?
The InChIKey is RUYQENSYJDHDHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F4N2O2/c18-12-8-5-11(6-9-12)7-10-15(24)22-13-3-1-2-4-14(13)23-16(25)17(19,20)21/h1-6,8-9H,7,10H2,(H,22,24)(H,23,25).
What are the key properties of 3-(4-fluorophenyl)-N-[2-[(2,2,2-trifluoroacetyl)amino]phenyl]propanamide?
3-(4-fluorophenyl)-N-[2-[(2,2,2-trifluoroacetyl)amino]phenyl]propanamide has a molecular weight of 354.30 g/mol, XLogP of 3.90, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-N-[2-[(2,2,2-trifluoroacetyl)amino]phenyl]propanamide is sourced from PubChem (CID 108933554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).