2-[[2-(2-chloro-6-fluorophenyl)acetyl]-[(2-fluorophenyl)methyl]amino]-N-(2-methylpropyl)-3-phenylpropanamide

C28H29ClF2N2O2 — CID 133172546

IUPAC2-[[2-(2-chloro-6-fluorophenyl)acetyl]-[(2-fluorophenyl)methyl]amino]-N-(2-methylpropyl)-3-phenylpropanamide
SMILESCC(C)CNC(=O)C(Cc1ccccc1)N(Cc1ccccc1F)C(=O)Cc1c(F)cccc1Cl
InChIInChI=1S/C28H29ClF2N2O2/c1-19(2)17-32-28(35)26(15-20-9-4-3-5-10-20)33(18-21-11-6-7-13-24(21)30)27(34)16-22-23(29)12-8-14-25(22)31/h3-14,19,26H,15-18H2,1-2H3,(H,32,35)
InChIKeyOBJVGHYIWLEEFI-UHFFFAOYSA-N
MW499.00 g/mol
LogP5.57
Rot. Bonds10

About 2-[[2-(2-chloro-6-fluorophenyl)acetyl]-[(2-fluorophenyl)methyl]amino]-N-(2-methylpropyl)-3-phenylpropanamide

2-[[2-(2-chloro-6-fluorophenyl)acetyl]-[(2-fluorophenyl)methyl]amino]-N-(2-methylpropyl)-3-phenylpropanamide (PubChem CID 133172546) has the molecular formula C28H29ClF2N2O2 and a molecular weight of 499.00 g/mol. Its IUPAC name is 2-[[2-(2-chloro-6-fluorophenyl)acetyl]-[(2-fluorophenyl)methyl]amino]-N-(2-methylpropyl)-3-phenylpropanamide.

Molecular Properties

Compound Name2-[[2-(2-chloro-6-fluorophenyl)acetyl]-[(2-fluorophenyl)methyl]amino]-N-(2-methylpropyl)-3-phenylpropanamide
PubChem CID133172546
Molecular FormulaC28H29ClF2N2O2
Molecular Weight499.00 g/mol
Exact Mass498.19
IUPAC Name2-[[2-(2-chloro-6-fluorophenyl)acetyl]-[(2-fluorophenyl)methyl]amino]-N-(2-methylpropyl)-3-phenylpropanamide
SMILESCC(C)CNC(=O)C(Cc1ccccc1)N(Cc1ccccc1F)C(=O)Cc1c(F)cccc1Cl
InChIInChI=1S/C28H29ClF2N2O2/c1-19(2)17-32-28(35)26(15-20-9-4-3-5-10-20)33(18-21-11-6-7-13-24(21)30)27(34)16-22-23(29)12-8-14-25(22)31/h3-14,19,26H,15-18H2,1-2H3,(H,32,35)
InChIKeyOBJVGHYIWLEEFI-UHFFFAOYSA-N
XLogP5.57
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500499.00
LogP ≤ 55.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[[2-(2-chloro-6-fluorophenyl)acetyl]-[(2-fluorophenyl)methyl]amino]-N-(2-methylpropyl)-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

2-[[2-(2-chloro-6-fluorophenyl)acetyl]-[(2-chlorophenyl)methyl]amino]-N-ethyl-3-phenylpropanamide
CID 132617717
2-[(4-chlorophenyl)methyl-[2-(2,6-dichlorophenyl)acetyl]amino]-N-(2-methylpropyl)-3-phenylpropanamide
CID 133172208
2-[[2-(2-chloro-6-fluorophenyl)acetyl]-[(2,6-dichlorophenyl)methyl]amino]-3-phenyl-N-propan-2-ylpropanamide
CID 133154168
(2R)-2-[[2-(2-chloro-6-fluorophenyl)acetyl]-[(2,6-dichlorophenyl)methyl]amino]-3-phenyl-N-propan-2-ylpropanamide
CID 100545808
2-[(3-chlorophenyl)methyl-[2-(2-fluorophenyl)acetyl]amino]-N-(2-methylpropyl)-3-phenylpropanamide
CID 133171878
N-butan-2-yl-2-[[2-(2-chloro-6-fluorophenyl)acetyl]-[(2-chlorophenyl)methyl]amino]-3-phenylpropanamide
CID 133221141
N-butyl-2-[[2-(2-chloro-6-fluorophenyl)acetyl]-[(2,6-dichlorophenyl)methyl]amino]-3-phenylpropanamide
CID 133204493
(2S)-N-butyl-2-[[2-(2-chloro-6-fluorophenyl)acetyl]-[(2,6-dichlorophenyl)methyl]amino]-3-phenylpropanamide
CID 100706250
(2R)-2-[[2-[(2-chloro-6-fluorophenyl)methylsulfanyl]acetyl]-[(2-methylphenyl)methyl]amino]-N-(2-methylpropyl)-3-phenylpropanamide
CID 100742494
2-[[2-(2-chloro-6-fluorophenyl)acetyl]-[(3-chlorophenyl)methyl]amino]-N-ethyl-3-phenylpropanamide
CID 132617718
2-[(2-fluorophenyl)methyl-(3-phenylpropanoyl)amino]-N-(2-methylpropyl)-3-phenylpropanamide
CID 133171633
(2S)-2-[[2-(2-chloro-6-fluorophenyl)acetyl]-[(3-methylphenyl)methyl]amino]-N-methyl-3-phenylpropanamide
CID 100682591

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2-chloro-6-fluorophenyl)acetyl]-[(2-fluorophenyl)methyl]amino]-N-(2-methylpropyl)-3-phenylpropanamide?
The IUPAC name of 2-[[2-(2-chloro-6-fluorophenyl)acetyl]-[(2-fluorophenyl)methyl]amino]-N-(2-methylpropyl)-3-phenylpropanamide (CID 133172546) is 2-[[2-(2-chloro-6-fluorophenyl)acetyl]-[(2-fluorophenyl)methyl]amino]-N-(2-methylpropyl)-3-phenylpropanamide.
What is the SMILES notation for 2-[[2-(2-chloro-6-fluorophenyl)acetyl]-[(2-fluorophenyl)methyl]amino]-N-(2-methylpropyl)-3-phenylpropanamide?
The canonical SMILES for 2-[[2-(2-chloro-6-fluorophenyl)acetyl]-[(2-fluorophenyl)methyl]amino]-N-(2-methylpropyl)-3-phenylpropanamide is CC(C)CNC(=O)C(Cc1ccccc1)N(Cc1ccccc1F)C(=O)Cc1c(F)cccc1Cl.
What is the InChIKey of 2-[[2-(2-chloro-6-fluorophenyl)acetyl]-[(2-fluorophenyl)methyl]amino]-N-(2-methylpropyl)-3-phenylpropanamide?
The InChIKey is OBJVGHYIWLEEFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29ClF2N2O2/c1-19(2)17-32-28(35)26(15-20-9-4-3-5-10-20)33(18-21-11-6-7-13-24(21)30)27(34)16-22-23(29)12-8-14-25(22)31/h3-14,19,26H,15-18H2,1-2H3,(H,32,35).
What are the key properties of 2-[[2-(2-chloro-6-fluorophenyl)acetyl]-[(2-fluorophenyl)methyl]amino]-N-(2-methylpropyl)-3-phenylpropanamide?
2-[[2-(2-chloro-6-fluorophenyl)acetyl]-[(2-fluorophenyl)methyl]amino]-N-(2-methylpropyl)-3-phenylpropanamide has a molecular weight of 499.00 g/mol, XLogP of 5.57, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2-chloro-6-fluorophenyl)acetyl]-[(2-fluorophenyl)methyl]amino]-N-(2-methylpropyl)-3-phenylpropanamide is sourced from PubChem (CID 133172546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).