2-[[2-(2,4-dichlorophenyl)acetyl]-[(2-fluorophenyl)methyl]amino]-3-phenyl-N-propylpropanamide

C27H27Cl2FN2O2 — CID 132619517

IUPAC2-[[2-(2,4-dichlorophenyl)acetyl]-[(2-fluorophenyl)methyl]amino]-3-phenyl-N-propylpropanamide
SMILESCCCNC(=O)C(Cc1ccccc1)N(Cc1ccccc1F)C(=O)Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C27H27Cl2FN2O2/c1-2-14-31-27(34)25(15-19-8-4-3-5-9-19)32(18-21-10-6-7-11-24(21)30)26(33)16-20-12-13-22(28)17-23(20)29/h3-13,17,25H,2,14-16,18H2,1H3,(H,31,34)
InChIKeyRIQVGZNUVAOVIN-UHFFFAOYSA-N
MW501.43 g/mol
LogP5.84
Rot. Bonds10

About 2-[[2-(2,4-dichlorophenyl)acetyl]-[(2-fluorophenyl)methyl]amino]-3-phenyl-N-propylpropanamide

2-[[2-(2,4-dichlorophenyl)acetyl]-[(2-fluorophenyl)methyl]amino]-3-phenyl-N-propylpropanamide (PubChem CID 132619517) has the molecular formula C27H27Cl2FN2O2 and a molecular weight of 501.43 g/mol. Its IUPAC name is 2-[[2-(2,4-dichlorophenyl)acetyl]-[(2-fluorophenyl)methyl]amino]-3-phenyl-N-propylpropanamide.

Molecular Properties

Compound Name2-[[2-(2,4-dichlorophenyl)acetyl]-[(2-fluorophenyl)methyl]amino]-3-phenyl-N-propylpropanamide
PubChem CID132619517
Molecular FormulaC27H27Cl2FN2O2
Molecular Weight501.43 g/mol
Exact Mass500.14
IUPAC Name2-[[2-(2,4-dichlorophenyl)acetyl]-[(2-fluorophenyl)methyl]amino]-3-phenyl-N-propylpropanamide
SMILESCCCNC(=O)C(Cc1ccccc1)N(Cc1ccccc1F)C(=O)Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C27H27Cl2FN2O2/c1-2-14-31-27(34)25(15-19-8-4-3-5-9-19)32(18-21-10-6-7-11-24(21)30)26(33)16-20-12-13-22(28)17-23(20)29/h3-13,17,25H,2,14-16,18H2,1H3,(H,31,34)
InChIKeyRIQVGZNUVAOVIN-UHFFFAOYSA-N
XLogP5.84
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500501.43
LogP ≤ 55.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[[2-(2,4-dichlorophenyl)acetyl]-[(2-fluorophenyl)methyl]amino]-3-phenyl-N-propylpropanamide 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-butyl-2-[(2,4-dichlorophenyl)methyl-[2-(2-fluorophenyl)acetyl]amino]-3-phenylpropanamide
CID 133206988
2-[benzyl-[2-(2,4-dichlorophenyl)acetyl]amino]-N-butyl-3-phenylpropanamide
CID 133152720
2-[(2,4-dichlorophenyl)methyl-[2-(3,4-dimethylphenyl)acetyl]amino]-3-phenyl-N-propylpropanamide
CID 133255767
2-[(3-bromophenyl)methyl-[2-(2,4-dichlorophenyl)acetyl]amino]-3-phenyl-N-propylpropanamide
CID 132628964
(2R)-2-[benzyl-[2-(2,4-dichlorophenyl)acetyl]amino]-N-propylbutanamide
CID 100543083
N-butyl-2-[(4-chlorophenyl)methyl-[2-(2,4-dichlorophenyl)acetyl]amino]-3-phenylpropanamide
CID 133231734
2-[(2,4-dichlorophenyl)methyl-(3,3-diphenylpropanoyl)amino]-3-phenyl-N-propylpropanamide
CID 133255789
(2S)-N-butyl-2-[(4-chlorophenyl)methyl-[2-(2,4-dichlorophenyl)acetyl]amino]-3-phenylpropanamide
CID 100641799
(2R)-N-butyl-2-[(4-chlorophenyl)methyl-[2-(2,4-dichlorophenyl)acetyl]amino]-3-phenylpropanamide
CID 100641788
2-[[2-(2-chlorophenyl)acetyl]-[(2,4-dichlorophenyl)methyl]amino]-N-ethyl-3-phenylpropanamide
CID 132619869
N-butyl-2-[[2-(2,4-dichlorophenyl)acetyl]-[(2-methylphenyl)methyl]amino]-3-phenylpropanamide
CID 133153058
N-butyl-2-[[2-[(2,4-dichlorophenyl)methylsulfanyl]acetyl]-[(2-fluorophenyl)methyl]amino]-3-phenylpropanamide
CID 133232054

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2,4-dichlorophenyl)acetyl]-[(2-fluorophenyl)methyl]amino]-3-phenyl-N-propylpropanamide?
The IUPAC name of 2-[[2-(2,4-dichlorophenyl)acetyl]-[(2-fluorophenyl)methyl]amino]-3-phenyl-N-propylpropanamide (CID 132619517) is 2-[[2-(2,4-dichlorophenyl)acetyl]-[(2-fluorophenyl)methyl]amino]-3-phenyl-N-propylpropanamide.
What is the SMILES notation for 2-[[2-(2,4-dichlorophenyl)acetyl]-[(2-fluorophenyl)methyl]amino]-3-phenyl-N-propylpropanamide?
The canonical SMILES for 2-[[2-(2,4-dichlorophenyl)acetyl]-[(2-fluorophenyl)methyl]amino]-3-phenyl-N-propylpropanamide is CCCNC(=O)C(Cc1ccccc1)N(Cc1ccccc1F)C(=O)Cc1ccc(Cl)cc1Cl.
What is the InChIKey of 2-[[2-(2,4-dichlorophenyl)acetyl]-[(2-fluorophenyl)methyl]amino]-3-phenyl-N-propylpropanamide?
The InChIKey is RIQVGZNUVAOVIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27Cl2FN2O2/c1-2-14-31-27(34)25(15-19-8-4-3-5-9-19)32(18-21-10-6-7-11-24(21)30)26(33)16-20-12-13-22(28)17-23(20)29/h3-13,17,25H,2,14-16,18H2,1H3,(H,31,34).
What are the key properties of 2-[[2-(2,4-dichlorophenyl)acetyl]-[(2-fluorophenyl)methyl]amino]-3-phenyl-N-propylpropanamide?
2-[[2-(2,4-dichlorophenyl)acetyl]-[(2-fluorophenyl)methyl]amino]-3-phenyl-N-propylpropanamide has a molecular weight of 501.43 g/mol, XLogP of 5.84, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2,4-dichlorophenyl)acetyl]-[(2-fluorophenyl)methyl]amino]-3-phenyl-N-propylpropanamide is sourced from PubChem (CID 132619517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).