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

C18H16F4N2O2 — CID 126842813

IUPAC2-acetamido-3-(2-fluorophenyl)-N-[4-(trifluoromethyl)phenyl]propanamide
SMILESCC(=O)NC(Cc1ccccc1F)C(=O)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C18H16F4N2O2/c1-11(25)23-16(10-12-4-2-3-5-15(12)19)17(26)24-14-8-6-13(7-9-14)18(20,21)22/h2-9,16H,10H2,1H3,(H,23,25)(H,24,26)
InChIKeyYKALWBUAAUZCCB-UHFFFAOYSA-N
MW368.33 g/mol
LogP3.53
Rot. Bonds5

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

2-acetamido-3-(2-fluorophenyl)-N-[4-(trifluoromethyl)phenyl]propanamide (PubChem CID 126842813) has the molecular formula C18H16F4N2O2 and a molecular weight of 368.33 g/mol. Its IUPAC name is 2-acetamido-3-(2-fluorophenyl)-N-[4-(trifluoromethyl)phenyl]propanamide.

Molecular Properties

Compound Name2-acetamido-3-(2-fluorophenyl)-N-[4-(trifluoromethyl)phenyl]propanamide
PubChem CID126842813
Molecular FormulaC18H16F4N2O2
Molecular Weight368.33 g/mol
Exact Mass368.11
IUPAC Name2-acetamido-3-(2-fluorophenyl)-N-[4-(trifluoromethyl)phenyl]propanamide
SMILESCC(=O)NC(Cc1ccccc1F)C(=O)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C18H16F4N2O2/c1-11(25)23-16(10-12-4-2-3-5-15(12)19)17(26)24-14-8-6-13(7-9-14)18(20,21)22/h2-9,16H,10H2,1H3,(H,23,25)(H,24,26)
InChIKeyYKALWBUAAUZCCB-UHFFFAOYSA-N
XLogP3.53
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.33
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-acetamido-3-(2-fluorophenyl)-N-[4-(trifluoromethyl)phenyl]propanamide?
The IUPAC name of 2-acetamido-3-(2-fluorophenyl)-N-[4-(trifluoromethyl)phenyl]propanamide (CID 126842813) is 2-acetamido-3-(2-fluorophenyl)-N-[4-(trifluoromethyl)phenyl]propanamide.
What is the SMILES notation for 2-acetamido-3-(2-fluorophenyl)-N-[4-(trifluoromethyl)phenyl]propanamide?
The canonical SMILES for 2-acetamido-3-(2-fluorophenyl)-N-[4-(trifluoromethyl)phenyl]propanamide is CC(=O)NC(Cc1ccccc1F)C(=O)Nc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2-acetamido-3-(2-fluorophenyl)-N-[4-(trifluoromethyl)phenyl]propanamide?
The InChIKey is YKALWBUAAUZCCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F4N2O2/c1-11(25)23-16(10-12-4-2-3-5-15(12)19)17(26)24-14-8-6-13(7-9-14)18(20,21)22/h2-9,16H,10H2,1H3,(H,23,25)(H,24,26).
What are the key properties of 2-acetamido-3-(2-fluorophenyl)-N-[4-(trifluoromethyl)phenyl]propanamide?
2-acetamido-3-(2-fluorophenyl)-N-[4-(trifluoromethyl)phenyl]propanamide has a molecular weight of 368.33 g/mol, XLogP of 3.53, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-3-(2-fluorophenyl)-N-[4-(trifluoromethyl)phenyl]propanamide is sourced from PubChem (CID 126842813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).