2-[(2,6-dichlorophenyl)methyl-[2-(2-fluorophenyl)acetyl]amino]-N-methyl-3-phenylpropanamide

C25H23Cl2FN2O2 — CID 132615912

IUPAC2-[(2,6-dichlorophenyl)methyl-[2-(2-fluorophenyl)acetyl]amino]-N-methyl-3-phenylpropanamide
SMILESCNC(=O)C(Cc1ccccc1)N(Cc1c(Cl)cccc1Cl)C(=O)Cc1ccccc1F
InChIInChI=1S/C25H23Cl2FN2O2/c1-29-25(32)23(14-17-8-3-2-4-9-17)30(16-19-20(26)11-7-12-21(19)27)24(31)15-18-10-5-6-13-22(18)28/h2-13,23H,14-16H2,1H3,(H,29,32)
InChIKeyBOPOVXZJJKMQKU-UHFFFAOYSA-N
MW473.38 g/mol
LogP5.06
Rot. Bonds8

About 2-[(2,6-dichlorophenyl)methyl-[2-(2-fluorophenyl)acetyl]amino]-N-methyl-3-phenylpropanamide

2-[(2,6-dichlorophenyl)methyl-[2-(2-fluorophenyl)acetyl]amino]-N-methyl-3-phenylpropanamide (PubChem CID 132615912) has the molecular formula C25H23Cl2FN2O2 and a molecular weight of 473.38 g/mol. Its IUPAC name is 2-[(2,6-dichlorophenyl)methyl-[2-(2-fluorophenyl)acetyl]amino]-N-methyl-3-phenylpropanamide.

Molecular Properties

Compound Name2-[(2,6-dichlorophenyl)methyl-[2-(2-fluorophenyl)acetyl]amino]-N-methyl-3-phenylpropanamide
PubChem CID132615912
Molecular FormulaC25H23Cl2FN2O2
Molecular Weight473.38 g/mol
Exact Mass472.11
IUPAC Name2-[(2,6-dichlorophenyl)methyl-[2-(2-fluorophenyl)acetyl]amino]-N-methyl-3-phenylpropanamide
SMILESCNC(=O)C(Cc1ccccc1)N(Cc1c(Cl)cccc1Cl)C(=O)Cc1ccccc1F
InChIInChI=1S/C25H23Cl2FN2O2/c1-29-25(32)23(14-17-8-3-2-4-9-17)30(16-19-20(26)11-7-12-21(19)27)24(31)15-18-10-5-6-13-22(18)28/h2-13,23H,14-16H2,1H3,(H,29,32)
InChIKeyBOPOVXZJJKMQKU-UHFFFAOYSA-N
XLogP5.06
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.38
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(3,4-dichlorophenyl)methyl-[2-(2-fluorophenyl)acetyl]amino]-N-methyl-3-phenylpropanamide
CID 132615914
2-[(2,6-dichlorophenyl)methyl-[2-(3-methylphenyl)acetyl]amino]-N-methyl-3-phenylpropanamide
CID 132615371
(2S)-2-[[2-(2-chloro-6-fluorophenyl)acetyl]-[(3-methylphenyl)methyl]amino]-N-methyl-3-phenylpropanamide
CID 100682591
2-[[2-(2-fluorophenyl)acetyl]-[(2-methylphenyl)methyl]amino]-N-methyl-3-phenylpropanamide
CID 132947626
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
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-chlorophenyl)methyl]amino]-N-methyl-3-phenylpropanamide
CID 100692187
2-[benzyl-[2-[(2-chloro-6-fluorophenyl)methylsulfanyl]acetyl]amino]-N-methyl-3-phenylpropanamide
CID 132617392
(2R)-2-[[2-(2-chlorophenyl)acetyl]-[(2,6-dichlorophenyl)methyl]amino]-3-phenyl-N-propan-2-ylpropanamide
CID 100545598
2-[[2-(2-chlorophenyl)acetyl]-[(2,6-dichlorophenyl)methyl]amino]-3-phenyl-N-propylpropanamide
CID 133200873

Frequently Asked Questions

What is the IUPAC name of 2-[(2,6-dichlorophenyl)methyl-[2-(2-fluorophenyl)acetyl]amino]-N-methyl-3-phenylpropanamide?
The IUPAC name of 2-[(2,6-dichlorophenyl)methyl-[2-(2-fluorophenyl)acetyl]amino]-N-methyl-3-phenylpropanamide (CID 132615912) is 2-[(2,6-dichlorophenyl)methyl-[2-(2-fluorophenyl)acetyl]amino]-N-methyl-3-phenylpropanamide.
What is the SMILES notation for 2-[(2,6-dichlorophenyl)methyl-[2-(2-fluorophenyl)acetyl]amino]-N-methyl-3-phenylpropanamide?
The canonical SMILES for 2-[(2,6-dichlorophenyl)methyl-[2-(2-fluorophenyl)acetyl]amino]-N-methyl-3-phenylpropanamide is CNC(=O)C(Cc1ccccc1)N(Cc1c(Cl)cccc1Cl)C(=O)Cc1ccccc1F.
What is the InChIKey of 2-[(2,6-dichlorophenyl)methyl-[2-(2-fluorophenyl)acetyl]amino]-N-methyl-3-phenylpropanamide?
The InChIKey is BOPOVXZJJKMQKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23Cl2FN2O2/c1-29-25(32)23(14-17-8-3-2-4-9-17)30(16-19-20(26)11-7-12-21(19)27)24(31)15-18-10-5-6-13-22(18)28/h2-13,23H,14-16H2,1H3,(H,29,32).
What are the key properties of 2-[(2,6-dichlorophenyl)methyl-[2-(2-fluorophenyl)acetyl]amino]-N-methyl-3-phenylpropanamide?
2-[(2,6-dichlorophenyl)methyl-[2-(2-fluorophenyl)acetyl]amino]-N-methyl-3-phenylpropanamide has a molecular weight of 473.38 g/mol, XLogP of 5.06, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,6-dichlorophenyl)methyl-[2-(2-fluorophenyl)acetyl]amino]-N-methyl-3-phenylpropanamide is sourced from PubChem (CID 132615912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).