2-[benzyl-[2-(2-fluorophenoxy)acetyl]amino]-N-cyclopentylbutanamide

C24H29FN2O3 — CID 132986132

IUPAC2-[benzyl-[2-(2-fluorophenoxy)acetyl]amino]-N-cyclopentylbutanamide
SMILESCCC(C(=O)NC1CCCC1)N(Cc1ccccc1)C(=O)COc1ccccc1F
InChIInChI=1S/C24H29FN2O3/c1-2-21(24(29)26-19-12-6-7-13-19)27(16-18-10-4-3-5-11-18)23(28)17-30-22-15-9-8-14-20(22)25/h3-5,8-11,14-15,19,21H,2,6-7,12-13,16-17H2,1H3,(H,26,29)
InChIKeyXWFFWBFXLHZSNU-UHFFFAOYSA-N
MW412.51 g/mol
LogP4.07
Rot. Bonds9

About 2-[benzyl-[2-(2-fluorophenoxy)acetyl]amino]-N-cyclopentylbutanamide

2-[benzyl-[2-(2-fluorophenoxy)acetyl]amino]-N-cyclopentylbutanamide (PubChem CID 132986132) has the molecular formula C24H29FN2O3 and a molecular weight of 412.51 g/mol. Its IUPAC name is 2-[benzyl-[2-(2-fluorophenoxy)acetyl]amino]-N-cyclopentylbutanamide.

Molecular Properties

Compound Name2-[benzyl-[2-(2-fluorophenoxy)acetyl]amino]-N-cyclopentylbutanamide
PubChem CID132986132
Molecular FormulaC24H29FN2O3
Molecular Weight412.51 g/mol
Exact Mass412.22
IUPAC Name2-[benzyl-[2-(2-fluorophenoxy)acetyl]amino]-N-cyclopentylbutanamide
SMILESCCC(C(=O)NC1CCCC1)N(Cc1ccccc1)C(=O)COc1ccccc1F
InChIInChI=1S/C24H29FN2O3/c1-2-21(24(29)26-19-12-6-7-13-19)27(16-18-10-4-3-5-11-18)23(28)17-30-22-15-9-8-14-20(22)25/h3-5,8-11,14-15,19,21H,2,6-7,12-13,16-17H2,1H3,(H,26,29)
InChIKeyXWFFWBFXLHZSNU-UHFFFAOYSA-N
XLogP4.07
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.51
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[benzyl-[2-(2-fluorophenoxy)acetyl]amino]-N-cyclohexyl-3-phenylpropanamide
CID 133175884
(2S)-2-[benzyl-[2-(2-methylphenoxy)acetyl]amino]-N-cyclohexylbutanamide
CID 100522106
2-[benzyl-[2-(2-fluorophenoxy)acetyl]amino]-N-methylbutanamide
CID 132654015
(2S)-2-[benzyl-[2-(2-tert-butylphenoxy)acetyl]amino]-N-cyclohexylbutanamide
CID 100528386
2-[benzyl-[2-(2-tert-butylphenoxy)acetyl]amino]-N-cyclohexylbutanamide
CID 132614690
2-[benzyl-[2-(4-fluorophenoxy)acetyl]amino]-N-cyclohexylbutanamide
CID 132610374
N-cyclohexyl-2-[(4-fluorophenyl)methyl-(2-phenoxyacetyl)amino]butanamide
CID 132610392
2-[benzyl-[2-(2-fluorophenyl)acetyl]amino]-N-cyclohexylbutanamide
CID 132986143
2-[benzyl-[2-(2,5-dimethylphenoxy)acetyl]amino]-N-cyclopentylbutanamide
CID 132947939
2-[benzyl-[2-(2,3,5-trimethylphenoxy)acetyl]amino]-N-cyclohexylbutanamide
CID 132612854
(2R)-N-cyclohexyl-2-[[2-(2-fluorophenoxy)acetyl]-[(3-methylphenyl)methyl]amino]-3-phenylpropanamide
CID 100585674
2-[[2-(2-fluorophenoxy)acetyl]-[(4-fluorophenyl)methyl]amino]-N-propylbutanamide
CID 132662204

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl-[2-(2-fluorophenoxy)acetyl]amino]-N-cyclopentylbutanamide?
The IUPAC name of 2-[benzyl-[2-(2-fluorophenoxy)acetyl]amino]-N-cyclopentylbutanamide (CID 132986132) is 2-[benzyl-[2-(2-fluorophenoxy)acetyl]amino]-N-cyclopentylbutanamide.
What is the SMILES notation for 2-[benzyl-[2-(2-fluorophenoxy)acetyl]amino]-N-cyclopentylbutanamide?
The canonical SMILES for 2-[benzyl-[2-(2-fluorophenoxy)acetyl]amino]-N-cyclopentylbutanamide is CCC(C(=O)NC1CCCC1)N(Cc1ccccc1)C(=O)COc1ccccc1F.
What is the InChIKey of 2-[benzyl-[2-(2-fluorophenoxy)acetyl]amino]-N-cyclopentylbutanamide?
The InChIKey is XWFFWBFXLHZSNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29FN2O3/c1-2-21(24(29)26-19-12-6-7-13-19)27(16-18-10-4-3-5-11-18)23(28)17-30-22-15-9-8-14-20(22)25/h3-5,8-11,14-15,19,21H,2,6-7,12-13,16-17H2,1H3,(H,26,29).
What are the key properties of 2-[benzyl-[2-(2-fluorophenoxy)acetyl]amino]-N-cyclopentylbutanamide?
2-[benzyl-[2-(2-fluorophenoxy)acetyl]amino]-N-cyclopentylbutanamide has a molecular weight of 412.51 g/mol, XLogP of 4.07, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl-[2-(2-fluorophenoxy)acetyl]amino]-N-cyclopentylbutanamide is sourced from PubChem (CID 132986132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).