3-amino-N-[4-cyano-3-(trifluoromethyl)phenyl]-2-(4-fluorophenyl)propanamide

C17H13F4N3O — CID 90909334

IUPAC3-amino-N-[4-cyano-3-(trifluoromethyl)phenyl]-2-(4-fluorophenyl)propanamide
SMILESN#Cc1ccc(NC(=O)C(CN)c2ccc(F)cc2)cc1C(F)(F)F
InChIInChI=1S/C17H13F4N3O/c18-12-4-1-10(2-5-12)14(9-23)16(25)24-13-6-3-11(8-22)15(7-13)17(19,20)21/h1-7,14H,9,23H2,(H,24,25)
InChIKeyKNIDRRMMMIHMLX-UHFFFAOYSA-N
MW351.30 g/mol
LogP3.40
Rot. Bonds4

About 3-amino-N-[4-cyano-3-(trifluoromethyl)phenyl]-2-(4-fluorophenyl)propanamide

3-amino-N-[4-cyano-3-(trifluoromethyl)phenyl]-2-(4-fluorophenyl)propanamide (PubChem CID 90909334) has the molecular formula C17H13F4N3O and a molecular weight of 351.30 g/mol. Its IUPAC name is 3-amino-N-[4-cyano-3-(trifluoromethyl)phenyl]-2-(4-fluorophenyl)propanamide.

Molecular Properties

Compound Name3-amino-N-[4-cyano-3-(trifluoromethyl)phenyl]-2-(4-fluorophenyl)propanamide
PubChem CID90909334
Molecular FormulaC17H13F4N3O
Molecular Weight351.30 g/mol
Exact Mass351.10
IUPAC Name3-amino-N-[4-cyano-3-(trifluoromethyl)phenyl]-2-(4-fluorophenyl)propanamide
SMILESN#Cc1ccc(NC(=O)C(CN)c2ccc(F)cc2)cc1C(F)(F)F
InChIInChI=1S/C17H13F4N3O/c18-12-4-1-10(2-5-12)14(9-23)16(25)24-13-6-3-11(8-22)15(7-13)17(19,20)21/h1-7,14H,9,23H2,(H,24,25)
InChIKeyKNIDRRMMMIHMLX-UHFFFAOYSA-N
XLogP3.40
TPSA78.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.30
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[4-cyano-3-(trifluoromethyl)phenyl]-2-(4-fluorophenyl)propanamide?
The IUPAC name of 3-amino-N-[4-cyano-3-(trifluoromethyl)phenyl]-2-(4-fluorophenyl)propanamide (CID 90909334) is 3-amino-N-[4-cyano-3-(trifluoromethyl)phenyl]-2-(4-fluorophenyl)propanamide.
What is the SMILES notation for 3-amino-N-[4-cyano-3-(trifluoromethyl)phenyl]-2-(4-fluorophenyl)propanamide?
The canonical SMILES for 3-amino-N-[4-cyano-3-(trifluoromethyl)phenyl]-2-(4-fluorophenyl)propanamide is N#Cc1ccc(NC(=O)C(CN)c2ccc(F)cc2)cc1C(F)(F)F.
What is the InChIKey of 3-amino-N-[4-cyano-3-(trifluoromethyl)phenyl]-2-(4-fluorophenyl)propanamide?
The InChIKey is KNIDRRMMMIHMLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F4N3O/c18-12-4-1-10(2-5-12)14(9-23)16(25)24-13-6-3-11(8-22)15(7-13)17(19,20)21/h1-7,14H,9,23H2,(H,24,25).
What are the key properties of 3-amino-N-[4-cyano-3-(trifluoromethyl)phenyl]-2-(4-fluorophenyl)propanamide?
3-amino-N-[4-cyano-3-(trifluoromethyl)phenyl]-2-(4-fluorophenyl)propanamide has a molecular weight of 351.30 g/mol, XLogP of 3.40, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[4-cyano-3-(trifluoromethyl)phenyl]-2-(4-fluorophenyl)propanamide is sourced from PubChem (CID 90909334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).