N-cyclopentyl-2-[(2-fluorophenyl)methyl-propanoylamino]propanamide

C18H25FN2O2 — CID 133198788

IUPACN-cyclopentyl-2-[(2-fluorophenyl)methyl-propanoylamino]propanamide
SMILESCCC(=O)N(Cc1ccccc1F)C(C)C(=O)NC1CCCC1
InChIInChI=1S/C18H25FN2O2/c1-3-17(22)21(12-14-8-4-7-11-16(14)19)13(2)18(23)20-15-9-5-6-10-15/h4,7-8,11,13,15H,3,5-6,9-10,12H2,1-2H3,(H,20,23)
InChIKeyZCRGOSBAXVOYMU-UHFFFAOYSA-N
MW320.41 g/mol
LogP3.01
Rot. Bonds6

About N-cyclopentyl-2-[(2-fluorophenyl)methyl-propanoylamino]propanamide

N-cyclopentyl-2-[(2-fluorophenyl)methyl-propanoylamino]propanamide (PubChem CID 133198788) has the molecular formula C18H25FN2O2 and a molecular weight of 320.41 g/mol. Its IUPAC name is N-cyclopentyl-2-[(2-fluorophenyl)methyl-propanoylamino]propanamide.

Molecular Properties

Compound NameN-cyclopentyl-2-[(2-fluorophenyl)methyl-propanoylamino]propanamide
PubChem CID133198788
Molecular FormulaC18H25FN2O2
Molecular Weight320.41 g/mol
Exact Mass320.19
IUPAC NameN-cyclopentyl-2-[(2-fluorophenyl)methyl-propanoylamino]propanamide
SMILESCCC(=O)N(Cc1ccccc1F)C(C)C(=O)NC1CCCC1
InChIInChI=1S/C18H25FN2O2/c1-3-17(22)21(12-14-8-4-7-11-16(14)19)13(2)18(23)20-15-9-5-6-10-15/h4,7-8,11,13,15H,3,5-6,9-10,12H2,1-2H3,(H,20,23)
InChIKeyZCRGOSBAXVOYMU-UHFFFAOYSA-N
XLogP3.01
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.41
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-N-cyclohexyl-2-[[2-(2-fluorophenyl)acetyl]-[(2-fluorophenyl)methyl]amino]propanamide
CID 100559703
(2R)-N-cyclohexyl-2-[(2-fluorophenyl)methyl-(2-phenylacetyl)amino]propanamide
CID 100554204
N-[(2R)-1-(cyclohexylamino)-1-oxopropan-2-yl]-N-[(2-fluorophenyl)methyl]-3,3-diphenylpropanamide
CID 100558309
(2S)-2-[[2-(4-chlorophenyl)acetyl]-[(2-fluorophenyl)methyl]amino]-N-cyclohexylpropanamide
CID 100557416
N-cyclohexyl-2-[[2-(3,5-dimethylphenyl)acetyl]-[(2-fluorophenyl)methyl]amino]propanamide
CID 133261635
N-cyclopentyl-2-[(2-fluorophenyl)methyl-[2-(3-methylphenyl)acetyl]amino]propanamide
CID 133146856
(2S)-N-cyclohexyl-2-[[2-(4-fluorophenoxy)acetyl]-[(2-fluorophenyl)methyl]amino]propanamide
CID 100559346
N-[1-(cyclopentylamino)-1-oxopropan-2-yl]-N-[(2-fluorophenyl)methyl]-4-phenoxybutanamide
CID 133198697
(2R)-N-cyclohexyl-2-[[2-(2,5-dimethylphenyl)acetyl]-[(2-fluorophenyl)methyl]amino]propanamide
CID 100558547
N-cyclohexyl-2-[(2-fluorophenyl)methyl-(3-phenylsulfanylpropanoyl)amino]propanamide
CID 133174656
N-cyclopentyl-2-[(2-fluorophenyl)methyl-[3-(4-propan-2-ylphenyl)propanoyl]amino]propanamide
CID 133198748
(2S)-N-cyclohexyl-2-[[2-(2,5-dimethylphenyl)acetyl]-[(2-fluorophenyl)methyl]amino]propanamide
CID 100558539

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-[(2-fluorophenyl)methyl-propanoylamino]propanamide?
The IUPAC name of N-cyclopentyl-2-[(2-fluorophenyl)methyl-propanoylamino]propanamide (CID 133198788) is N-cyclopentyl-2-[(2-fluorophenyl)methyl-propanoylamino]propanamide.
What is the SMILES notation for N-cyclopentyl-2-[(2-fluorophenyl)methyl-propanoylamino]propanamide?
The canonical SMILES for N-cyclopentyl-2-[(2-fluorophenyl)methyl-propanoylamino]propanamide is CCC(=O)N(Cc1ccccc1F)C(C)C(=O)NC1CCCC1.
What is the InChIKey of N-cyclopentyl-2-[(2-fluorophenyl)methyl-propanoylamino]propanamide?
The InChIKey is ZCRGOSBAXVOYMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25FN2O2/c1-3-17(22)21(12-14-8-4-7-11-16(14)19)13(2)18(23)20-15-9-5-6-10-15/h4,7-8,11,13,15H,3,5-6,9-10,12H2,1-2H3,(H,20,23).
What are the key properties of N-cyclopentyl-2-[(2-fluorophenyl)methyl-propanoylamino]propanamide?
N-cyclopentyl-2-[(2-fluorophenyl)methyl-propanoylamino]propanamide has a molecular weight of 320.41 g/mol, XLogP of 3.01, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-[(2-fluorophenyl)methyl-propanoylamino]propanamide is sourced from PubChem (CID 133198788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).