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

C25H24ClFN2O2 — CID 132611663

IUPAC2-[(2-chlorophenyl)methyl-[2-(4-fluorophenyl)acetyl]amino]-N-methyl-3-phenylpropanamide
SMILESCNC(=O)C(Cc1ccccc1)N(Cc1ccccc1Cl)C(=O)Cc1ccc(F)cc1
InChIInChI=1S/C25H24ClFN2O2/c1-28-25(31)23(15-18-7-3-2-4-8-18)29(17-20-9-5-6-10-22(20)26)24(30)16-19-11-13-21(27)14-12-19/h2-14,23H,15-17H2,1H3,(H,28,31)
InChIKeyJTPUHSWHYFLXFW-UHFFFAOYSA-N
MW438.93 g/mol
LogP4.41
Rot. Bonds8

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

2-[(2-chlorophenyl)methyl-[2-(4-fluorophenyl)acetyl]amino]-N-methyl-3-phenylpropanamide (PubChem CID 132611663) has the molecular formula C25H24ClFN2O2 and a molecular weight of 438.93 g/mol. Its IUPAC name is 2-[(2-chlorophenyl)methyl-[2-(4-fluorophenyl)acetyl]amino]-N-methyl-3-phenylpropanamide.

Molecular Properties

Compound Name2-[(2-chlorophenyl)methyl-[2-(4-fluorophenyl)acetyl]amino]-N-methyl-3-phenylpropanamide
PubChem CID132611663
Molecular FormulaC25H24ClFN2O2
Molecular Weight438.93 g/mol
Exact Mass438.15
IUPAC Name2-[(2-chlorophenyl)methyl-[2-(4-fluorophenyl)acetyl]amino]-N-methyl-3-phenylpropanamide
SMILESCNC(=O)C(Cc1ccccc1)N(Cc1ccccc1Cl)C(=O)Cc1ccc(F)cc1
InChIInChI=1S/C25H24ClFN2O2/c1-28-25(31)23(15-18-7-3-2-4-8-18)29(17-20-9-5-6-10-22(20)26)24(30)16-19-11-13-21(27)14-12-19/h2-14,23H,15-17H2,1H3,(H,28,31)
InChIKeyJTPUHSWHYFLXFW-UHFFFAOYSA-N
XLogP4.41
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.93
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[2-(4-chlorophenyl)acetyl]-[(2,4-dichlorophenyl)methyl]amino]-N-methyl-3-phenylpropanamide
CID 132618006
(2R)-2-[(2-chlorophenyl)methyl-[2-(3-methylphenyl)acetyl]amino]-N-methyl-3-phenylpropanamide
CID 100700318
2-[(2-chlorophenyl)methyl-(3-phenylpropanoyl)amino]-N-methyl-3-phenylpropanamide
CID 132611138
2-[(4-fluorophenyl)methyl-[2-(4-methoxyphenyl)acetyl]amino]-N-methyl-3-phenylpropanamide
CID 132611051
N-tert-butyl-2-[(2,6-dichlorophenyl)methyl-[2-(4-fluorophenyl)acetyl]amino]-3-phenylpropanamide
CID 133193231
2-[(2-chlorophenyl)methyl-[2-(4-fluorophenyl)acetyl]amino]-N-ethylbutanamide
CID 132659399
2-[[2-(4-chlorophenyl)acetyl]-[(2-chlorophenyl)methyl]amino]-N-methylbutanamide
CID 132659746
2-[(2,6-dichlorophenyl)methyl-[2-(2-fluorophenyl)acetyl]amino]-N-methyl-3-phenylpropanamide
CID 132615912
(2S)-N-methyl-2-[(4-methylphenyl)methyl-(2-phenylacetyl)amino]-3-phenylpropanamide
CID 100682890
N-butan-2-yl-2-[(2-chlorophenyl)methyl-(2-phenylacetyl)amino]-3-phenylpropanamide
CID 133220811
2-[acetyl-[(4-fluorophenyl)methyl]amino]-N-methyl-3-phenylpropanamide
CID 133215029
(2R)-2-[[2-(4-chlorophenyl)acetyl]-[(4-fluorophenyl)methyl]amino]-3-phenyl-N-propan-2-ylpropanamide
CID 100515476

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chlorophenyl)methyl-[2-(4-fluorophenyl)acetyl]amino]-N-methyl-3-phenylpropanamide?
The IUPAC name of 2-[(2-chlorophenyl)methyl-[2-(4-fluorophenyl)acetyl]amino]-N-methyl-3-phenylpropanamide (CID 132611663) is 2-[(2-chlorophenyl)methyl-[2-(4-fluorophenyl)acetyl]amino]-N-methyl-3-phenylpropanamide.
What is the SMILES notation for 2-[(2-chlorophenyl)methyl-[2-(4-fluorophenyl)acetyl]amino]-N-methyl-3-phenylpropanamide?
The canonical SMILES for 2-[(2-chlorophenyl)methyl-[2-(4-fluorophenyl)acetyl]amino]-N-methyl-3-phenylpropanamide is CNC(=O)C(Cc1ccccc1)N(Cc1ccccc1Cl)C(=O)Cc1ccc(F)cc1.
What is the InChIKey of 2-[(2-chlorophenyl)methyl-[2-(4-fluorophenyl)acetyl]amino]-N-methyl-3-phenylpropanamide?
The InChIKey is JTPUHSWHYFLXFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24ClFN2O2/c1-28-25(31)23(15-18-7-3-2-4-8-18)29(17-20-9-5-6-10-22(20)26)24(30)16-19-11-13-21(27)14-12-19/h2-14,23H,15-17H2,1H3,(H,28,31).
What are the key properties of 2-[(2-chlorophenyl)methyl-[2-(4-fluorophenyl)acetyl]amino]-N-methyl-3-phenylpropanamide?
2-[(2-chlorophenyl)methyl-[2-(4-fluorophenyl)acetyl]amino]-N-methyl-3-phenylpropanamide has a molecular weight of 438.93 g/mol, XLogP of 4.41, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chlorophenyl)methyl-[2-(4-fluorophenyl)acetyl]amino]-N-methyl-3-phenylpropanamide is sourced from PubChem (CID 132611663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).