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

C32H29Cl2FN2O2 — CID 133215179

IUPACN-[(2,4-dichlorophenyl)methyl]-2-[(4-fluorophenyl)methyl-(3-phenylpropanoyl)amino]-3-phenylpropanamide
SMILESO=C(NCc1ccc(Cl)cc1Cl)C(Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)CCc1ccccc1
InChIInChI=1S/C32H29Cl2FN2O2/c33-27-15-14-26(29(34)20-27)21-36-32(39)30(19-24-9-5-2-6-10-24)37(22-25-11-16-28(35)17-12-25)31(38)18-13-23-7-3-1-4-8-23/h1-12,14-17,20,30H,13,18-19,21-22H2,(H,36,39)
InChIKeyABRACDCAAWFIJP-UHFFFAOYSA-N
MW563.50 g/mol
LogP7.02
Rot. Bonds11

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

N-[(2,4-dichlorophenyl)methyl]-2-[(4-fluorophenyl)methyl-(3-phenylpropanoyl)amino]-3-phenylpropanamide (PubChem CID 133215179) has the molecular formula C32H29Cl2FN2O2 and a molecular weight of 563.50 g/mol. Its IUPAC name is N-[(2,4-dichlorophenyl)methyl]-2-[(4-fluorophenyl)methyl-(3-phenylpropanoyl)amino]-3-phenylpropanamide.

Molecular Properties

Compound NameN-[(2,4-dichlorophenyl)methyl]-2-[(4-fluorophenyl)methyl-(3-phenylpropanoyl)amino]-3-phenylpropanamide
PubChem CID133215179
Molecular FormulaC32H29Cl2FN2O2
Molecular Weight563.50 g/mol
Exact Mass562.16
IUPAC NameN-[(2,4-dichlorophenyl)methyl]-2-[(4-fluorophenyl)methyl-(3-phenylpropanoyl)amino]-3-phenylpropanamide
SMILESO=C(NCc1ccc(Cl)cc1Cl)C(Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)CCc1ccccc1
InChIInChI=1S/C32H29Cl2FN2O2/c33-27-15-14-26(29(34)20-27)21-36-32(39)30(19-24-9-5-2-6-10-24)37(22-25-11-16-28(35)17-12-25)31(38)18-13-23-7-3-1-4-8-23/h1-12,14-17,20,30H,13,18-19,21-22H2,(H,36,39)
InChIKeyABRACDCAAWFIJP-UHFFFAOYSA-N
XLogP7.02
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500563.50
LogP ≤ 57.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-chlorophenyl)methyl]-2-[(4-fluorophenyl)methyl-(3-phenylpropanoyl)amino]-3-phenylpropanamide
CID 133215178
N-[(2,4-dichlorophenyl)methyl]-2-[(4-methoxyphenyl)methyl-(3-phenylpropanoyl)amino]-3-phenylpropanamide
CID 133236648
(2S)-N-butyl-2-[(2,4-dichlorophenyl)methyl-(3-phenylpropanoyl)amino]-3-phenylpropanamide
CID 100681260
N-[(4-chlorophenyl)methyl]-2-[(4-fluorophenyl)methyl-(2-phenylacetyl)amino]-3-phenylpropanamide
CID 133215150
N-ethyl-2-[(4-fluorophenyl)methyl-(3-phenylpropanoyl)amino]-3-phenylpropanamide
CID 132610905
2-[(4-fluorophenyl)methyl-(3-phenylpropanoyl)amino]-N-methyl-3-phenylpropanamide
CID 132947642
2-[benzyl-[2-(4-chlorophenyl)acetyl]amino]-N-[(2-chlorophenyl)methyl]-3-phenylpropanamide
CID 133214167
N-butyl-2-[3-(4-tert-butylphenyl)propanoyl-[(2,4-dichlorophenyl)methyl]amino]-3-phenylpropanamide
CID 133206870
2-[3-(4-tert-butylphenyl)propanoyl-[(2,4-dichlorophenyl)methyl]amino]-N-(2-methylpropyl)-3-phenylpropanamide
CID 133173790
2-[acetyl-[(4-methoxyphenyl)methyl]amino]-N-[(2,4-dichlorophenyl)methyl]-3-phenylpropanamide
CID 133236412
N-[(2-chlorophenyl)methyl]-2-[(4-fluorophenyl)methyl-(2-phenoxyacetyl)amino]-3-phenylpropanamide
CID 133236167
2-[(2,4-dichlorophenyl)methyl-[3-(4-propan-2-ylphenyl)propanoyl]amino]-3-phenyl-N-propan-2-ylpropanamide
CID 133150669

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dichlorophenyl)methyl]-2-[(4-fluorophenyl)methyl-(3-phenylpropanoyl)amino]-3-phenylpropanamide?
The IUPAC name of N-[(2,4-dichlorophenyl)methyl]-2-[(4-fluorophenyl)methyl-(3-phenylpropanoyl)amino]-3-phenylpropanamide (CID 133215179) is N-[(2,4-dichlorophenyl)methyl]-2-[(4-fluorophenyl)methyl-(3-phenylpropanoyl)amino]-3-phenylpropanamide.
What is the SMILES notation for N-[(2,4-dichlorophenyl)methyl]-2-[(4-fluorophenyl)methyl-(3-phenylpropanoyl)amino]-3-phenylpropanamide?
The canonical SMILES for N-[(2,4-dichlorophenyl)methyl]-2-[(4-fluorophenyl)methyl-(3-phenylpropanoyl)amino]-3-phenylpropanamide is O=C(NCc1ccc(Cl)cc1Cl)C(Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)CCc1ccccc1.
What is the InChIKey of N-[(2,4-dichlorophenyl)methyl]-2-[(4-fluorophenyl)methyl-(3-phenylpropanoyl)amino]-3-phenylpropanamide?
The InChIKey is ABRACDCAAWFIJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H29Cl2FN2O2/c33-27-15-14-26(29(34)20-27)21-36-32(39)30(19-24-9-5-2-6-10-24)37(22-25-11-16-28(35)17-12-25)31(38)18-13-23-7-3-1-4-8-23/h1-12,14-17,20,30H,13,18-19,21-22H2,(H,36,39).
What are the key properties of N-[(2,4-dichlorophenyl)methyl]-2-[(4-fluorophenyl)methyl-(3-phenylpropanoyl)amino]-3-phenylpropanamide?
N-[(2,4-dichlorophenyl)methyl]-2-[(4-fluorophenyl)methyl-(3-phenylpropanoyl)amino]-3-phenylpropanamide has a molecular weight of 563.50 g/mol, XLogP of 7.02, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dichlorophenyl)methyl]-2-[(4-fluorophenyl)methyl-(3-phenylpropanoyl)amino]-3-phenylpropanamide is sourced from PubChem (CID 133215179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).