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

C22H27FN2O3 — CID 132762880

IUPAC2-[(2-fluorophenyl)methyl-[2-(2-methylphenoxy)acetyl]amino]-N-propylpropanamide
SMILESCCCNC(=O)C(C)N(Cc1ccccc1F)C(=O)COc1ccccc1C
InChIInChI=1S/C22H27FN2O3/c1-4-13-24-22(27)17(3)25(14-18-10-6-7-11-19(18)23)21(26)15-28-20-12-8-5-9-16(20)2/h5-12,17H,4,13-15H2,1-3H3,(H,24,27)
InChIKeyXUNWLAMFGNDNPX-UHFFFAOYSA-N
MW386.47 g/mol
LogP3.46
Rot. Bonds9

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

2-[(2-fluorophenyl)methyl-[2-(2-methylphenoxy)acetyl]amino]-N-propylpropanamide (PubChem CID 132762880) has the molecular formula C22H27FN2O3 and a molecular weight of 386.47 g/mol. Its IUPAC name is 2-[(2-fluorophenyl)methyl-[2-(2-methylphenoxy)acetyl]amino]-N-propylpropanamide.

Molecular Properties

Compound Name2-[(2-fluorophenyl)methyl-[2-(2-methylphenoxy)acetyl]amino]-N-propylpropanamide
PubChem CID132762880
Molecular FormulaC22H27FN2O3
Molecular Weight386.47 g/mol
Exact Mass386.20
IUPAC Name2-[(2-fluorophenyl)methyl-[2-(2-methylphenoxy)acetyl]amino]-N-propylpropanamide
SMILESCCCNC(=O)C(C)N(Cc1ccccc1F)C(=O)COc1ccccc1C
InChIInChI=1S/C22H27FN2O3/c1-4-13-24-22(27)17(3)25(14-18-10-6-7-11-19(18)23)21(26)15-28-20-12-8-5-9-16(20)2/h5-12,17H,4,13-15H2,1-3H3,(H,24,27)
InChIKeyXUNWLAMFGNDNPX-UHFFFAOYSA-N
XLogP3.46
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.47
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-(2,5-dimethylphenoxy)acetyl]-[(2-fluorophenyl)methyl]amino]-N-propylpropanamide
CID 132763580
(2R)-2-[(2-fluorophenyl)methyl-[2-(2-methylphenoxy)acetyl]amino]-N-(2-methylpropyl)propanamide
CID 100719141
(2R)-N-butyl-2-[[2-(2,3-dimethylphenoxy)acetyl]-[(2-fluorophenyl)methyl]amino]propanamide
CID 100564883
(2S)-N-butyl-2-[[2-(2,4-dimethylphenoxy)acetyl]-[(2-fluorophenyl)methyl]amino]propanamide
CID 100564917
2-[(2-fluorophenyl)methyl-[2-(4-propan-2-ylphenoxy)acetyl]amino]-N-propylpropanamide
CID 132986920
2-[[2-(2-bromo-4-chlorophenoxy)acetyl]-[(2-fluorophenyl)methyl]amino]-N-propylpropanamide
CID 132617538
2-[[2-(4-chloro-3-methylphenoxy)acetyl]-[(2-fluorophenyl)methyl]amino]-N-propylpropanamide
CID 132947829
2-[[2-(2-fluorophenoxy)acetyl]-[(2-methylphenyl)methyl]amino]-N-(2-methylpropyl)propanamide
CID 132705458
2-[(3-bromophenyl)methyl-[2-(2-methylphenoxy)acetyl]amino]-N-propylpropanamide
CID 132612456
(2R)-2-[[2-(2-methylphenoxy)acetyl]-[(2-methylphenyl)methyl]amino]-N-propylbutanamide
CID 100543275
(2S)-2-[[2-(2-fluorophenoxy)acetyl]-[(2-fluorophenyl)methyl]amino]-N-methylpropanamide
CID 100633159
N-butyl-2-[[2-(3,5-dimethylphenoxy)acetyl]-[(2-fluorophenyl)methyl]amino]propanamide
CID 133151676

Frequently Asked Questions

What is the IUPAC name of 2-[(2-fluorophenyl)methyl-[2-(2-methylphenoxy)acetyl]amino]-N-propylpropanamide?
The IUPAC name of 2-[(2-fluorophenyl)methyl-[2-(2-methylphenoxy)acetyl]amino]-N-propylpropanamide (CID 132762880) is 2-[(2-fluorophenyl)methyl-[2-(2-methylphenoxy)acetyl]amino]-N-propylpropanamide.
What is the SMILES notation for 2-[(2-fluorophenyl)methyl-[2-(2-methylphenoxy)acetyl]amino]-N-propylpropanamide?
The canonical SMILES for 2-[(2-fluorophenyl)methyl-[2-(2-methylphenoxy)acetyl]amino]-N-propylpropanamide is CCCNC(=O)C(C)N(Cc1ccccc1F)C(=O)COc1ccccc1C.
What is the InChIKey of 2-[(2-fluorophenyl)methyl-[2-(2-methylphenoxy)acetyl]amino]-N-propylpropanamide?
The InChIKey is XUNWLAMFGNDNPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27FN2O3/c1-4-13-24-22(27)17(3)25(14-18-10-6-7-11-19(18)23)21(26)15-28-20-12-8-5-9-16(20)2/h5-12,17H,4,13-15H2,1-3H3,(H,24,27).
What are the key properties of 2-[(2-fluorophenyl)methyl-[2-(2-methylphenoxy)acetyl]amino]-N-propylpropanamide?
2-[(2-fluorophenyl)methyl-[2-(2-methylphenoxy)acetyl]amino]-N-propylpropanamide has a molecular weight of 386.47 g/mol, XLogP of 3.46, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-fluorophenyl)methyl-[2-(2-methylphenoxy)acetyl]amino]-N-propylpropanamide is sourced from PubChem (CID 132762880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).