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

C18H16F4N2O2 — CID 108934271

IUPAC3-(2-fluorophenyl)-N-[2-[[(2,2,2-trifluoroacetyl)amino]methyl]phenyl]propanamide
SMILESO=C(CCc1ccccc1F)Nc1ccccc1CNC(=O)C(F)(F)F
InChIInChI=1S/C18H16F4N2O2/c19-14-7-3-1-5-12(14)9-10-16(25)24-15-8-4-2-6-13(15)11-23-17(26)18(20,21)22/h1-8H,9-11H2,(H,23,26)(H,24,25)
InChIKeySXKCNUXWSCJMOX-UHFFFAOYSA-N
MW368.33 g/mol
LogP3.58
Rot. Bonds6

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

3-(2-fluorophenyl)-N-[2-[[(2,2,2-trifluoroacetyl)amino]methyl]phenyl]propanamide (PubChem CID 108934271) has the molecular formula C18H16F4N2O2 and a molecular weight of 368.33 g/mol. Its IUPAC name is 3-(2-fluorophenyl)-N-[2-[[(2,2,2-trifluoroacetyl)amino]methyl]phenyl]propanamide.

Molecular Properties

Compound Name3-(2-fluorophenyl)-N-[2-[[(2,2,2-trifluoroacetyl)amino]methyl]phenyl]propanamide
PubChem CID108934271
Molecular FormulaC18H16F4N2O2
Molecular Weight368.33 g/mol
Exact Mass368.11
IUPAC Name3-(2-fluorophenyl)-N-[2-[[(2,2,2-trifluoroacetyl)amino]methyl]phenyl]propanamide
SMILESO=C(CCc1ccccc1F)Nc1ccccc1CNC(=O)C(F)(F)F
InChIInChI=1S/C18H16F4N2O2/c19-14-7-3-1-5-12(14)9-10-16(25)24-15-8-4-2-6-13(15)11-23-17(26)18(20,21)22/h1-8H,9-11H2,(H,23,26)(H,24,25)
InChIKeySXKCNUXWSCJMOX-UHFFFAOYSA-N
XLogP3.58
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.33
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-(2-fluorophenyl)-N-[2-[[(2,2,2-trifluoroacetyl)amino]methyl]phenyl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-phenoxy-N-[2-[[(2,2,2-trifluoroacetyl)amino]methyl]phenyl]butanamide
CID 108934115
2-cyano-N-[2-[[(2,2,2-trifluoroacetyl)amino]methyl]phenyl]acetamide
CID 108923450
N-(2-benzylphenyl)-3-(2-fluorophenyl)propanamide
CID 9397387
tert-butyl N-[3-oxo-3-[2-[[(2,2,2-trifluoroacetyl)amino]methyl]anilino]propyl]carbamate
CID 108920770
3-(2-fluorophenyl)-N-(2-methylphenyl)propanamide
CID 9394717
N-(2-chlorophenyl)-3-(2-fluorophenyl)propanamide
CID 9401009
tert-butyl N-[2-oxo-2-[2-[[(2,2,2-trifluoroacetyl)amino]methyl]anilino]ethyl]carbamate
CID 108917889
3-(2-fluorophenyl)-N-[2-(1,2,4-triazol-1-ylmethyl)phenyl]propanamide
CID 87031833
3-(2-fluorophenyl)-N-[4-(trifluoromethyl)phenyl]propanamide
CID 26716432
2-bromo-N-[2-[[(2,2,2-trifluoroacetyl)amino]methyl]phenyl]benzamide
CID 108934015
(E)-4,4-dimethyl-N-[2-[[(2,2,2-trifluoroacetyl)amino]methyl]phenyl]pent-2-enamide
CID 108934343
(E)-4-methyl-N-[2-[[(2,2,2-trifluoroacetyl)amino]methyl]phenyl]pent-2-enamide
CID 108934341

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorophenyl)-N-[2-[[(2,2,2-trifluoroacetyl)amino]methyl]phenyl]propanamide?
The IUPAC name of 3-(2-fluorophenyl)-N-[2-[[(2,2,2-trifluoroacetyl)amino]methyl]phenyl]propanamide (CID 108934271) is 3-(2-fluorophenyl)-N-[2-[[(2,2,2-trifluoroacetyl)amino]methyl]phenyl]propanamide.
What is the SMILES notation for 3-(2-fluorophenyl)-N-[2-[[(2,2,2-trifluoroacetyl)amino]methyl]phenyl]propanamide?
The canonical SMILES for 3-(2-fluorophenyl)-N-[2-[[(2,2,2-trifluoroacetyl)amino]methyl]phenyl]propanamide is O=C(CCc1ccccc1F)Nc1ccccc1CNC(=O)C(F)(F)F.
What is the InChIKey of 3-(2-fluorophenyl)-N-[2-[[(2,2,2-trifluoroacetyl)amino]methyl]phenyl]propanamide?
The InChIKey is SXKCNUXWSCJMOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F4N2O2/c19-14-7-3-1-5-12(14)9-10-16(25)24-15-8-4-2-6-13(15)11-23-17(26)18(20,21)22/h1-8H,9-11H2,(H,23,26)(H,24,25).
What are the key properties of 3-(2-fluorophenyl)-N-[2-[[(2,2,2-trifluoroacetyl)amino]methyl]phenyl]propanamide?
3-(2-fluorophenyl)-N-[2-[[(2,2,2-trifluoroacetyl)amino]methyl]phenyl]propanamide has a molecular weight of 368.33 g/mol, XLogP of 3.58, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorophenyl)-N-[2-[[(2,2,2-trifluoroacetyl)amino]methyl]phenyl]propanamide is sourced from PubChem (CID 108934271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).