N-(5-amino-2-fluorophenyl)-3-(cyclopentylmethoxy)propanamide

C15H21FN2O2 — CID 66322587

IUPACN-(5-amino-2-fluorophenyl)-3-(cyclopentylmethoxy)propanamide
SMILESNc1ccc(F)c(NC(=O)CCOCC2CCCC2)c1
InChIInChI=1S/C15H21FN2O2/c16-13-6-5-12(17)9-14(13)18-15(19)7-8-20-10-11-3-1-2-4-11/h5-6,9,11H,1-4,7-8,10,17H2,(H,18,19)
InChIKeyCAKWSKLBSNZIBJ-UHFFFAOYSA-N
MW280.34 g/mol
LogP2.94
Rot. Bonds6

About N-(5-amino-2-fluorophenyl)-3-(cyclopentylmethoxy)propanamide

N-(5-amino-2-fluorophenyl)-3-(cyclopentylmethoxy)propanamide (PubChem CID 66322587) has the molecular formula C15H21FN2O2 and a molecular weight of 280.34 g/mol. Its IUPAC name is N-(5-amino-2-fluorophenyl)-3-(cyclopentylmethoxy)propanamide.

Molecular Properties

Compound NameN-(5-amino-2-fluorophenyl)-3-(cyclopentylmethoxy)propanamide
PubChem CID66322587
Molecular FormulaC15H21FN2O2
Molecular Weight280.34 g/mol
Exact Mass280.16
IUPAC NameN-(5-amino-2-fluorophenyl)-3-(cyclopentylmethoxy)propanamide
SMILESNc1ccc(F)c(NC(=O)CCOCC2CCCC2)c1
InChIInChI=1S/C15H21FN2O2/c16-13-6-5-12(17)9-14(13)18-15(19)7-8-20-10-11-3-1-2-4-11/h5-6,9,11H,1-4,7-8,10,17H2,(H,18,19)
InChIKeyCAKWSKLBSNZIBJ-UHFFFAOYSA-N
XLogP2.94
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.34
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(5-amino-2-methylphenyl)-3-(cyclopentylmethoxy)propanamide
CID 66322376
N-(5-amino-2-fluorophenyl)-3-(2-cyclopropylethoxy)propanamide
CID 106199880
N-(5-amino-2-fluorophenyl)-3-cyclohexylsulfanylpropanamide
CID 60884491
N-(3-amino-4-fluorophenyl)-4-(cyclopentylmethoxy)butanamide
CID 66322803
N-(5-amino-2-fluorophenyl)-2-(cyclopentylmethylsulfonyl)acetamide
CID 63119729
N-(5-amino-2-fluorophenyl)-3-(3-methoxy-3-methylbutoxy)propanamide
CID 106665084
N-(4-amino-2-chlorophenyl)-2-(cyclopentylmethoxy)acetamide
CID 66324082
N-(2-amino-4,6-dichlorophenyl)-3-(cyclopentylmethoxy)propanamide
CID 66321942
N-(5-amino-2-fluorophenyl)-2-[3-(2-methoxyethoxy)propoxy]acetamide
CID 103401139
N-(5-amino-2-fluorophenyl)-2-[2-(3-methoxypropoxy)ethoxy]acetamide
CID 103176942
3-(3-cyclopentylpropanoylamino)-4-fluorobenzoic acid
CID 60748335
methyl 2-[3-(5-amino-2-fluoroanilino)-3-oxopropyl]sulfanylacetate
CID 43617946

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2-fluorophenyl)-3-(cyclopentylmethoxy)propanamide?
The IUPAC name of N-(5-amino-2-fluorophenyl)-3-(cyclopentylmethoxy)propanamide (CID 66322587) is N-(5-amino-2-fluorophenyl)-3-(cyclopentylmethoxy)propanamide.
What is the SMILES notation for N-(5-amino-2-fluorophenyl)-3-(cyclopentylmethoxy)propanamide?
The canonical SMILES for N-(5-amino-2-fluorophenyl)-3-(cyclopentylmethoxy)propanamide is Nc1ccc(F)c(NC(=O)CCOCC2CCCC2)c1.
What is the InChIKey of N-(5-amino-2-fluorophenyl)-3-(cyclopentylmethoxy)propanamide?
The InChIKey is CAKWSKLBSNZIBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O2/c16-13-6-5-12(17)9-14(13)18-15(19)7-8-20-10-11-3-1-2-4-11/h5-6,9,11H,1-4,7-8,10,17H2,(H,18,19).
What are the key properties of N-(5-amino-2-fluorophenyl)-3-(cyclopentylmethoxy)propanamide?
N-(5-amino-2-fluorophenyl)-3-(cyclopentylmethoxy)propanamide has a molecular weight of 280.34 g/mol, XLogP of 2.94, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-2-fluorophenyl)-3-(cyclopentylmethoxy)propanamide is sourced from PubChem (CID 66322587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).