2-[(4-fluorophenyl)methyl-(3-phenylpropanoyl)amino]-N-methyl-3-phenylpropanamide

C26H27FN2O2 — CID 132947642

IUPAC2-[(4-fluorophenyl)methyl-(3-phenylpropanoyl)amino]-N-methyl-3-phenylpropanamide
SMILESCNC(=O)C(Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)CCc1ccccc1
InChIInChI=1S/C26H27FN2O2/c1-28-26(31)24(18-21-10-6-3-7-11-21)29(19-22-12-15-23(27)16-13-22)25(30)17-14-20-8-4-2-5-9-20/h2-13,15-16,24H,14,17-19H2,1H3,(H,28,31)
InChIKeyRTSIKGAMXIZQGT-UHFFFAOYSA-N
MW418.51 g/mol
LogP4.14
Rot. Bonds9

About 2-[(4-fluorophenyl)methyl-(3-phenylpropanoyl)amino]-N-methyl-3-phenylpropanamide

2-[(4-fluorophenyl)methyl-(3-phenylpropanoyl)amino]-N-methyl-3-phenylpropanamide (PubChem CID 132947642) has the molecular formula C26H27FN2O2 and a molecular weight of 418.51 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)methyl-(3-phenylpropanoyl)amino]-N-methyl-3-phenylpropanamide.

Molecular Properties

Compound Name2-[(4-fluorophenyl)methyl-(3-phenylpropanoyl)amino]-N-methyl-3-phenylpropanamide
PubChem CID132947642
Molecular FormulaC26H27FN2O2
Molecular Weight418.51 g/mol
Exact Mass418.21
IUPAC Name2-[(4-fluorophenyl)methyl-(3-phenylpropanoyl)amino]-N-methyl-3-phenylpropanamide
SMILESCNC(=O)C(Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)CCc1ccccc1
InChIInChI=1S/C26H27FN2O2/c1-28-26(31)24(18-21-10-6-3-7-11-21)29(19-22-12-15-23(27)16-13-22)25(30)17-14-20-8-4-2-5-9-20/h2-13,15-16,24H,14,17-19H2,1H3,(H,28,31)
InChIKeyRTSIKGAMXIZQGT-UHFFFAOYSA-N
XLogP4.14
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.51
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-2-[(4-fluorophenyl)methyl-(3-phenylpropanoyl)amino]-3-phenylpropanamide
CID 132610905
2-[acetyl-[(4-fluorophenyl)methyl]amino]-N-methyl-3-phenylpropanamide
CID 133215029
2-[(4-fluorophenyl)methyl-[3-(4-methylphenyl)propanoyl]amino]-N-(2-methylpropyl)-3-phenylpropanamide
CID 133172756
2-[(4-fluorophenyl)methyl-[3-(4-methylphenyl)propanoyl]amino]-3-phenyl-N-propan-2-ylpropanamide
CID 133257147
N-[(4-chlorophenyl)methyl]-2-[(4-fluorophenyl)methyl-(3-phenylpropanoyl)amino]-3-phenylpropanamide
CID 133215178
2-[3-(4-chlorophenyl)sulfanylpropanoyl-[(4-fluorophenyl)methyl]amino]-N-methyl-3-phenylpropanamide
CID 132617396
2-[(4-fluorophenyl)methyl-propanoylamino]-3-phenyl-N-(2-phenylethyl)propanamide
CID 133215067
(2R)-2-[benzyl-[2-(4-fluorophenoxy)acetyl]amino]-N-methyl-3-phenylpropanamide
CID 100665126
2-[(4-fluorophenyl)methyl-[2-(4-methoxyphenyl)acetyl]amino]-N-methyl-3-phenylpropanamide
CID 132611051
2-[(2-chlorophenyl)methyl-(3-phenylpropanoyl)amino]-N-methyl-3-phenylpropanamide
CID 132611138
N-cyclohexyl-2-[(4-fluorophenyl)methyl-[3-(4-propan-2-ylphenyl)propanoyl]amino]-3-phenylpropanamide
CID 133252741
2-[(4-fluorophenyl)methyl-[2-(4-methylphenyl)sulfanylacetyl]amino]-N-methyl-3-phenylpropanamide
CID 132612809

Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)methyl-(3-phenylpropanoyl)amino]-N-methyl-3-phenylpropanamide?
The IUPAC name of 2-[(4-fluorophenyl)methyl-(3-phenylpropanoyl)amino]-N-methyl-3-phenylpropanamide (CID 132947642) is 2-[(4-fluorophenyl)methyl-(3-phenylpropanoyl)amino]-N-methyl-3-phenylpropanamide.
What is the SMILES notation for 2-[(4-fluorophenyl)methyl-(3-phenylpropanoyl)amino]-N-methyl-3-phenylpropanamide?
The canonical SMILES for 2-[(4-fluorophenyl)methyl-(3-phenylpropanoyl)amino]-N-methyl-3-phenylpropanamide is CNC(=O)C(Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)CCc1ccccc1.
What is the InChIKey of 2-[(4-fluorophenyl)methyl-(3-phenylpropanoyl)amino]-N-methyl-3-phenylpropanamide?
The InChIKey is RTSIKGAMXIZQGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27FN2O2/c1-28-26(31)24(18-21-10-6-3-7-11-21)29(19-22-12-15-23(27)16-13-22)25(30)17-14-20-8-4-2-5-9-20/h2-13,15-16,24H,14,17-19H2,1H3,(H,28,31).
What are the key properties of 2-[(4-fluorophenyl)methyl-(3-phenylpropanoyl)amino]-N-methyl-3-phenylpropanamide?
2-[(4-fluorophenyl)methyl-(3-phenylpropanoyl)amino]-N-methyl-3-phenylpropanamide has a molecular weight of 418.51 g/mol, XLogP of 4.14, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)methyl-(3-phenylpropanoyl)amino]-N-methyl-3-phenylpropanamide is sourced from PubChem (CID 132947642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).