N-cyclopentyl-2-[(4-fluorophenyl)methyl-propanoylamino]propanamide

C18H25FN2O2 — CID 132760515

IUPACN-cyclopentyl-2-[(4-fluorophenyl)methyl-propanoylamino]propanamide
SMILESCCC(=O)N(Cc1ccc(F)cc1)C(C)C(=O)NC1CCCC1
InChIInChI=1S/C18H25FN2O2/c1-3-17(22)21(12-14-8-10-15(19)11-9-14)13(2)18(23)20-16-6-4-5-7-16/h8-11,13,16H,3-7,12H2,1-2H3,(H,20,23)
InChIKeyWLMQXNZYAAOWFI-UHFFFAOYSA-N
MW320.41 g/mol
LogP3.01
Rot. Bonds6

About N-cyclopentyl-2-[(4-fluorophenyl)methyl-propanoylamino]propanamide

N-cyclopentyl-2-[(4-fluorophenyl)methyl-propanoylamino]propanamide (PubChem CID 132760515) has the molecular formula C18H25FN2O2 and a molecular weight of 320.41 g/mol. Its IUPAC name is N-cyclopentyl-2-[(4-fluorophenyl)methyl-propanoylamino]propanamide.

Molecular Properties

Compound NameN-cyclopentyl-2-[(4-fluorophenyl)methyl-propanoylamino]propanamide
PubChem CID132760515
Molecular FormulaC18H25FN2O2
Molecular Weight320.41 g/mol
Exact Mass320.19
IUPAC NameN-cyclopentyl-2-[(4-fluorophenyl)methyl-propanoylamino]propanamide
SMILESCCC(=O)N(Cc1ccc(F)cc1)C(C)C(=O)NC1CCCC1
InChIInChI=1S/C18H25FN2O2/c1-3-17(22)21(12-14-8-10-15(19)11-9-14)13(2)18(23)20-16-6-4-5-7-16/h8-11,13,16H,3-7,12H2,1-2H3,(H,20,23)
InChIKeyWLMQXNZYAAOWFI-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

N-cyclohexyl-2-[(4-fluorophenyl)methyl-propanoylamino]propanamide
CID 132760851
N-cyclohexyl-2-[[2-(4-fluorophenyl)acetyl]-[(4-fluorophenyl)methyl]amino]propanamide
CID 132984690
N-cyclohexyl-2-[[2-(4-fluorophenyl)acetyl]-[(4-methylphenyl)methyl]amino]propanamide
CID 132985428
N-cyclopentyl-2-[(4-fluorophenyl)methyl-[2-[(4-fluorophenyl)methylsulfanyl]acetyl]amino]propanamide
CID 132612351
(2R)-N-cyclohexyl-2-[(4-methoxyphenyl)methyl-propanoylamino]propanamide
CID 100516413
2-[[2-(4-chlorophenyl)acetyl]-[(4-fluorophenyl)methyl]amino]-N-cyclohexylpropanamide
CID 132610793
N-cyclohexyl-2-[[2-(3,4-dimethylphenyl)acetyl]-[(4-fluorophenyl)methyl]amino]propanamide
CID 132610239
N-cyclopentyl-2-[[2-(2,5-dimethylphenyl)acetyl]-[(4-fluorophenyl)methyl]amino]propanamide
CID 132985311
2-[3-(4-tert-butylphenyl)propanoyl-[(4-fluorophenyl)methyl]amino]-N-cyclopentylpropanamide
CID 132613164
2-[[2-(2-chlorophenyl)acetyl]-[(4-fluorophenyl)methyl]amino]-N-cyclohexylpropanamide
CID 132610789
N-cyclopentyl-2-[(2-fluorophenyl)methyl-propanoylamino]propanamide
CID 133198788
2-[[2-(4-tert-butylphenoxy)acetyl]-[(4-fluorophenyl)methyl]amino]-N-cyclopentylpropanamide
CID 132613367

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-[(4-fluorophenyl)methyl-propanoylamino]propanamide?
The IUPAC name of N-cyclopentyl-2-[(4-fluorophenyl)methyl-propanoylamino]propanamide (CID 132760515) is N-cyclopentyl-2-[(4-fluorophenyl)methyl-propanoylamino]propanamide.
What is the SMILES notation for N-cyclopentyl-2-[(4-fluorophenyl)methyl-propanoylamino]propanamide?
The canonical SMILES for N-cyclopentyl-2-[(4-fluorophenyl)methyl-propanoylamino]propanamide is CCC(=O)N(Cc1ccc(F)cc1)C(C)C(=O)NC1CCCC1.
What is the InChIKey of N-cyclopentyl-2-[(4-fluorophenyl)methyl-propanoylamino]propanamide?
The InChIKey is WLMQXNZYAAOWFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25FN2O2/c1-3-17(22)21(12-14-8-10-15(19)11-9-14)13(2)18(23)20-16-6-4-5-7-16/h8-11,13,16H,3-7,12H2,1-2H3,(H,20,23).
What are the key properties of N-cyclopentyl-2-[(4-fluorophenyl)methyl-propanoylamino]propanamide?
N-cyclopentyl-2-[(4-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-[(4-fluorophenyl)methyl-propanoylamino]propanamide is sourced from PubChem (CID 132760515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).