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

C32H30ClFN2O2 — CID 133215178

IUPACN-[(4-chlorophenyl)methyl]-2-[(4-fluorophenyl)methyl-(3-phenylpropanoyl)amino]-3-phenylpropanamide
SMILESO=C(NCc1ccc(Cl)cc1)C(Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)CCc1ccccc1
InChIInChI=1S/C32H30ClFN2O2/c33-28-16-11-26(12-17-28)22-35-32(38)30(21-25-9-5-2-6-10-25)36(23-27-13-18-29(34)19-14-27)31(37)20-15-24-7-3-1-4-8-24/h1-14,16-19,30H,15,20-23H2,(H,35,38)
InChIKeyCTRCVHJJDOWKMK-UHFFFAOYSA-N
MW529.06 g/mol
LogP6.37
Rot. Bonds11

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

N-[(4-chlorophenyl)methyl]-2-[(4-fluorophenyl)methyl-(3-phenylpropanoyl)amino]-3-phenylpropanamide (PubChem CID 133215178) has the molecular formula C32H30ClFN2O2 and a molecular weight of 529.06 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-2-[(4-fluorophenyl)methyl-(3-phenylpropanoyl)amino]-3-phenylpropanamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-2-[(4-fluorophenyl)methyl-(3-phenylpropanoyl)amino]-3-phenylpropanamide
PubChem CID133215178
Molecular FormulaC32H30ClFN2O2
Molecular Weight529.06 g/mol
Exact Mass528.20
IUPAC NameN-[(4-chlorophenyl)methyl]-2-[(4-fluorophenyl)methyl-(3-phenylpropanoyl)amino]-3-phenylpropanamide
SMILESO=C(NCc1ccc(Cl)cc1)C(Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)CCc1ccccc1
InChIInChI=1S/C32H30ClFN2O2/c33-28-16-11-26(12-17-28)22-35-32(38)30(21-25-9-5-2-6-10-25)36(23-27-13-18-29(34)19-14-27)31(37)20-15-24-7-3-1-4-8-24/h1-14,16-19,30H,15,20-23H2,(H,35,38)
InChIKeyCTRCVHJJDOWKMK-UHFFFAOYSA-N
XLogP6.37
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500529.06
LogP ≤ 56.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

N-[(4-chlorophenyl)methyl]-2-[(4-fluorophenyl)methyl-(2-phenylacetyl)amino]-3-phenylpropanamide
CID 133215150
N-[(2,4-dichlorophenyl)methyl]-2-[(4-fluorophenyl)methyl-(3-phenylpropanoyl)amino]-3-phenylpropanamide
CID 133215179
N-ethyl-2-[(4-fluorophenyl)methyl-(3-phenylpropanoyl)amino]-3-phenylpropanamide
CID 132610905
2-[benzyl-[3-[4-(ethylsulfamoyl)phenyl]propanoyl]amino]-N-[(4-chlorophenyl)methyl]-3-phenylpropanamide
CID 133213822
2-[(4-fluorophenyl)methyl-(3-phenylpropanoyl)amino]-N-methyl-3-phenylpropanamide
CID 132947642
2-[[2-(4-chlorophenyl)acetyl]-[(4-chlorophenyl)methyl]amino]-N-[(4-chlorophenyl)methyl]-3-phenylpropanamide
CID 133214684
2-[[2-(2-chlorophenoxy)acetyl]-[(4-fluorophenyl)methyl]amino]-N-[(4-chlorophenyl)methyl]-3-phenylpropanamide
CID 133214912
2-[(4-chlorophenyl)methyl-(3-phenylpropanoyl)amino]-N-(3-hydroxypropyl)-3-phenylpropanamide
CID 133214649
2-[benzyl-[3-[4-(cyclopropylsulfamoyl)phenyl]propanoyl]amino]-N-[(4-chlorophenyl)methyl]-3-phenylpropanamide
CID 133213949
2-[benzyl(3-phenylpropanoyl)amino]-3-phenyl-N-(pyridin-4-ylmethyl)propanamide
CID 133214149
2-[benzyl(3-phenylpropanoyl)amino]-N-[(4-methoxyphenyl)methyl]-3-phenylpropanamide
CID 133214141
2-[(4-fluorophenyl)methyl-[3-(4-methylphenyl)propanoyl]amino]-N-(2-methylpropyl)-3-phenylpropanamide
CID 133172756

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-2-[(4-fluorophenyl)methyl-(3-phenylpropanoyl)amino]-3-phenylpropanamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-2-[(4-fluorophenyl)methyl-(3-phenylpropanoyl)amino]-3-phenylpropanamide (CID 133215178) is N-[(4-chlorophenyl)methyl]-2-[(4-fluorophenyl)methyl-(3-phenylpropanoyl)amino]-3-phenylpropanamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-2-[(4-fluorophenyl)methyl-(3-phenylpropanoyl)amino]-3-phenylpropanamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-2-[(4-fluorophenyl)methyl-(3-phenylpropanoyl)amino]-3-phenylpropanamide is O=C(NCc1ccc(Cl)cc1)C(Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)CCc1ccccc1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-2-[(4-fluorophenyl)methyl-(3-phenylpropanoyl)amino]-3-phenylpropanamide?
The InChIKey is CTRCVHJJDOWKMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H30ClFN2O2/c33-28-16-11-26(12-17-28)22-35-32(38)30(21-25-9-5-2-6-10-25)36(23-27-13-18-29(34)19-14-27)31(37)20-15-24-7-3-1-4-8-24/h1-14,16-19,30H,15,20-23H2,(H,35,38).
What are the key properties of N-[(4-chlorophenyl)methyl]-2-[(4-fluorophenyl)methyl-(3-phenylpropanoyl)amino]-3-phenylpropanamide?
N-[(4-chlorophenyl)methyl]-2-[(4-fluorophenyl)methyl-(3-phenylpropanoyl)amino]-3-phenylpropanamide has a molecular weight of 529.06 g/mol, XLogP of 6.37, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-2-[(4-fluorophenyl)methyl-(3-phenylpropanoyl)amino]-3-phenylpropanamide is sourced from PubChem (CID 133215178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).