3-(4-methylphenyl)-N-(2,3,4,5,6-pentafluorophenyl)-2-phenylpropanamide

C22H16F5NO — CID 101480409

IUPAC3-(4-methylphenyl)-N-(2,3,4,5,6-pentafluorophenyl)-2-phenylpropanamide
SMILESCc1ccc(CC(C(=O)Nc2c(F)c(F)c(F)c(F)c2F)c2ccccc2)cc1
InChIInChI=1S/C22H16F5NO/c1-12-7-9-13(10-8-12)11-15(14-5-3-2-4-6-14)22(29)28-21-19(26)17(24)16(23)18(25)20(21)27/h2-10,15H,11H2,1H3,(H,28,29)
InChIKeyHDJSJZRLNKCTSG-UHFFFAOYSA-N
MW405.37 g/mol
LogP5.66
Rot. Bonds5

About 3-(4-methylphenyl)-N-(2,3,4,5,6-pentafluorophenyl)-2-phenylpropanamide

3-(4-methylphenyl)-N-(2,3,4,5,6-pentafluorophenyl)-2-phenylpropanamide (PubChem CID 101480409) has the molecular formula C22H16F5NO and a molecular weight of 405.37 g/mol. Its IUPAC name is 3-(4-methylphenyl)-N-(2,3,4,5,6-pentafluorophenyl)-2-phenylpropanamide.

Molecular Properties

Compound Name3-(4-methylphenyl)-N-(2,3,4,5,6-pentafluorophenyl)-2-phenylpropanamide
PubChem CID101480409
Molecular FormulaC22H16F5NO
Molecular Weight405.37 g/mol
Exact Mass405.12
IUPAC Name3-(4-methylphenyl)-N-(2,3,4,5,6-pentafluorophenyl)-2-phenylpropanamide
SMILESCc1ccc(CC(C(=O)Nc2c(F)c(F)c(F)c(F)c2F)c2ccccc2)cc1
InChIInChI=1S/C22H16F5NO/c1-12-7-9-13(10-8-12)11-15(14-5-3-2-4-6-14)22(29)28-21-19(26)17(24)16(23)18(25)20(21)27/h2-10,15H,11H2,1H3,(H,28,29)
InChIKeyHDJSJZRLNKCTSG-UHFFFAOYSA-N
XLogP5.66
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.37
LogP ≤ 55.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Analyze 3-(4-methylphenyl)-N-(2,3,4,5,6-pentafluorophenyl)-2-phenylpropanamide 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

2,3-bis(4-methylphenyl)propanehydrazide
CID 70580652
(2R)-N-(4-methylphenyl)-2-phenylbutanamide
CID 835806
(3R)-4-(4-fluorophenyl)-3-phenylbutan-2-one
CID 129364574
(2R)-3-(4-fluorophenyl)-2-phenylpropanoic acid
CID 795470
2-(3-hydroxyphenyl)-3-(4-methylphenyl)propanoic acid
CID 83955052
N-(2,6-dimethylphenyl)-2-phenylbutanamide
CID 4117919
4-(4-methylphenyl)-3-phenylbutan-2-amine;4-(4-methylphenyl)-3-phenylbutan-2-one
CID 162155664
2-(4-ethylphenyl)-3-(4-methylphenyl)propanoic acid
CID 82092601
2-chloro-3-(4-methylphenyl)-1-phenylpropan-1-one
CID 101382183
3-[4-(hydroxymethyl)phenyl]-2-(4-methylphenyl)propanoic acid
CID 82160685
1,5-bis(4-methylphenyl)-2,4-dipyridin-4-ylpentan-3-one
CID 150059098
N-[(4-methylphenyl)methyl]-2-phenyl-3-pyridin-3-ylpropanamide
CID 110409246

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylphenyl)-N-(2,3,4,5,6-pentafluorophenyl)-2-phenylpropanamide?
The IUPAC name of 3-(4-methylphenyl)-N-(2,3,4,5,6-pentafluorophenyl)-2-phenylpropanamide (CID 101480409) is 3-(4-methylphenyl)-N-(2,3,4,5,6-pentafluorophenyl)-2-phenylpropanamide.
What is the SMILES notation for 3-(4-methylphenyl)-N-(2,3,4,5,6-pentafluorophenyl)-2-phenylpropanamide?
The canonical SMILES for 3-(4-methylphenyl)-N-(2,3,4,5,6-pentafluorophenyl)-2-phenylpropanamide is Cc1ccc(CC(C(=O)Nc2c(F)c(F)c(F)c(F)c2F)c2ccccc2)cc1.
What is the InChIKey of 3-(4-methylphenyl)-N-(2,3,4,5,6-pentafluorophenyl)-2-phenylpropanamide?
The InChIKey is HDJSJZRLNKCTSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16F5NO/c1-12-7-9-13(10-8-12)11-15(14-5-3-2-4-6-14)22(29)28-21-19(26)17(24)16(23)18(25)20(21)27/h2-10,15H,11H2,1H3,(H,28,29).
What are the key properties of 3-(4-methylphenyl)-N-(2,3,4,5,6-pentafluorophenyl)-2-phenylpropanamide?
3-(4-methylphenyl)-N-(2,3,4,5,6-pentafluorophenyl)-2-phenylpropanamide has a molecular weight of 405.37 g/mol, XLogP of 5.66, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylphenyl)-N-(2,3,4,5,6-pentafluorophenyl)-2-phenylpropanamide is sourced from PubChem (CID 101480409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).