2-[[2-(2-chlorophenyl)acetyl]-[(4-fluorophenyl)methyl]amino]-N-propylpropanamide

C21H24ClFN2O2 — CID 132659384

IUPAC2-[[2-(2-chlorophenyl)acetyl]-[(4-fluorophenyl)methyl]amino]-N-propylpropanamide
SMILESCCCNC(=O)C(C)N(Cc1ccc(F)cc1)C(=O)Cc1ccccc1Cl
InChIInChI=1S/C21H24ClFN2O2/c1-3-12-24-21(27)15(2)25(14-16-8-10-18(23)11-9-16)20(26)13-17-6-4-5-7-19(17)22/h4-11,15H,3,12-14H2,1-2H3,(H,24,27)
InChIKeyURTAMYNNKNDKTP-UHFFFAOYSA-N
MW390.89 g/mol
LogP3.97
Rot. Bonds8

About 2-[[2-(2-chlorophenyl)acetyl]-[(4-fluorophenyl)methyl]amino]-N-propylpropanamide

2-[[2-(2-chlorophenyl)acetyl]-[(4-fluorophenyl)methyl]amino]-N-propylpropanamide (PubChem CID 132659384) has the molecular formula C21H24ClFN2O2 and a molecular weight of 390.89 g/mol. Its IUPAC name is 2-[[2-(2-chlorophenyl)acetyl]-[(4-fluorophenyl)methyl]amino]-N-propylpropanamide.

Molecular Properties

Compound Name2-[[2-(2-chlorophenyl)acetyl]-[(4-fluorophenyl)methyl]amino]-N-propylpropanamide
PubChem CID132659384
Molecular FormulaC21H24ClFN2O2
Molecular Weight390.89 g/mol
Exact Mass390.15
IUPAC Name2-[[2-(2-chlorophenyl)acetyl]-[(4-fluorophenyl)methyl]amino]-N-propylpropanamide
SMILESCCCNC(=O)C(C)N(Cc1ccc(F)cc1)C(=O)Cc1ccccc1Cl
InChIInChI=1S/C21H24ClFN2O2/c1-3-12-24-21(27)15(2)25(14-16-8-10-18(23)11-9-16)20(26)13-17-6-4-5-7-19(17)22/h4-11,15H,3,12-14H2,1-2H3,(H,24,27)
InChIKeyURTAMYNNKNDKTP-UHFFFAOYSA-N
XLogP3.97
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.89
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2-chlorophenyl)methyl-[2-(4-fluorophenyl)acetyl]amino]-N-propylpropanamide
CID 132659401
(2S)-2-[[2-(2-chlorophenyl)acetyl]-[(2,6-dichlorophenyl)methyl]amino]-N-propylpropanamide
CID 100516266
N-butyl-2-[[2-(2-chlorophenyl)acetyl]-[(4-fluorophenyl)methyl]amino]butanamide
CID 132708870
N-butyl-2-[[2-(2-fluorophenyl)acetyl]-[(4-fluorophenyl)methyl]amino]propanamide
CID 132703784
2-[[2-(2-chlorophenyl)acetyl]-[(4-fluorophenyl)methyl]amino]-N-cyclohexylpropanamide
CID 132610789
2-[(4-fluorophenyl)methyl-[2-(4-methylphenyl)acetyl]amino]-N-propylpropanamide
CID 132655610
2-[[2-(2,4-dichlorophenyl)acetyl]-[(4-fluorophenyl)methyl]amino]-N-ethylpropanamide
CID 132663904
2-[(2,4-dichlorophenyl)methyl-[2-(4-fluorophenyl)acetyl]amino]-N-propylpropanamide
CID 132667697
2-[(4-fluorophenyl)methyl-(3-phenylpropanoyl)amino]-N-propylpropanamide
CID 132655615
2-[benzyl-[2-(4-chlorophenyl)acetyl]amino]-N-propylpropanamide
CID 132656017
2-[(4-chlorophenyl)methyl-(2-phenylacetyl)amino]-N-propylpropanamide
CID 132656046
N-butyl-2-[(4-chlorophenyl)methyl-[2-(2-fluorophenyl)acetyl]amino]propanamide
CID 132706192

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2-chlorophenyl)acetyl]-[(4-fluorophenyl)methyl]amino]-N-propylpropanamide?
The IUPAC name of 2-[[2-(2-chlorophenyl)acetyl]-[(4-fluorophenyl)methyl]amino]-N-propylpropanamide (CID 132659384) is 2-[[2-(2-chlorophenyl)acetyl]-[(4-fluorophenyl)methyl]amino]-N-propylpropanamide.
What is the SMILES notation for 2-[[2-(2-chlorophenyl)acetyl]-[(4-fluorophenyl)methyl]amino]-N-propylpropanamide?
The canonical SMILES for 2-[[2-(2-chlorophenyl)acetyl]-[(4-fluorophenyl)methyl]amino]-N-propylpropanamide is CCCNC(=O)C(C)N(Cc1ccc(F)cc1)C(=O)Cc1ccccc1Cl.
What is the InChIKey of 2-[[2-(2-chlorophenyl)acetyl]-[(4-fluorophenyl)methyl]amino]-N-propylpropanamide?
The InChIKey is URTAMYNNKNDKTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClFN2O2/c1-3-12-24-21(27)15(2)25(14-16-8-10-18(23)11-9-16)20(26)13-17-6-4-5-7-19(17)22/h4-11,15H,3,12-14H2,1-2H3,(H,24,27).
What are the key properties of 2-[[2-(2-chlorophenyl)acetyl]-[(4-fluorophenyl)methyl]amino]-N-propylpropanamide?
2-[[2-(2-chlorophenyl)acetyl]-[(4-fluorophenyl)methyl]amino]-N-propylpropanamide has a molecular weight of 390.89 g/mol, XLogP of 3.97, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2-chlorophenyl)acetyl]-[(4-fluorophenyl)methyl]amino]-N-propylpropanamide is sourced from PubChem (CID 132659384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).