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

C14H19FN2O2 — CID 106199880

IUPACN-(5-amino-2-fluorophenyl)-3-(2-cyclopropylethoxy)propanamide
SMILESNc1ccc(F)c(NC(=O)CCOCCC2CC2)c1
InChIInChI=1S/C14H19FN2O2/c15-12-4-3-11(16)9-13(12)17-14(18)6-8-19-7-5-10-1-2-10/h3-4,9-10H,1-2,5-8,16H2,(H,17,18)
InChIKeyTYTYEICNIKPSHY-UHFFFAOYSA-N
MW266.32 g/mol
LogP2.55
Rot. Bonds7

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

N-(5-amino-2-fluorophenyl)-3-(2-cyclopropylethoxy)propanamide (PubChem CID 106199880) has the molecular formula C14H19FN2O2 and a molecular weight of 266.32 g/mol. Its IUPAC name is N-(5-amino-2-fluorophenyl)-3-(2-cyclopropylethoxy)propanamide.

Molecular Properties

Compound NameN-(5-amino-2-fluorophenyl)-3-(2-cyclopropylethoxy)propanamide
PubChem CID106199880
Molecular FormulaC14H19FN2O2
Molecular Weight266.32 g/mol
Exact Mass266.14
IUPAC NameN-(5-amino-2-fluorophenyl)-3-(2-cyclopropylethoxy)propanamide
SMILESNc1ccc(F)c(NC(=O)CCOCCC2CC2)c1
InChIInChI=1S/C14H19FN2O2/c15-12-4-3-11(16)9-13(12)17-14(18)6-8-19-7-5-10-1-2-10/h3-4,9-10H,1-2,5-8,16H2,(H,17,18)
InChIKeyTYTYEICNIKPSHY-UHFFFAOYSA-N
XLogP2.55
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.32
LogP ≤ 52.55
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-fluorophenyl)-3-(cyclopentylmethoxy)propanamide
CID 66322587
N-(5-amino-2-fluorophenyl)-3-(3-methoxy-3-methylbutoxy)propanamide
CID 106665084
N-(2-amino-4-chlorophenyl)-4-(2-cyclobutylethoxy)butanamide
CID 106200088
N-(5-amino-2-fluorophenyl)-2-[3-(2-methoxyethoxy)propoxy]acetamide
CID 103401139
N-(5-amino-2-fluorophenyl)-3-cyclohexylsulfanylpropanamide
CID 60884491
N-(5-amino-2-fluorophenyl)-2-[2-(3-methoxypropoxy)ethoxy]acetamide
CID 103176942
N-(5-amino-2-methylphenyl)-2-(2-cyclobutylethoxy)acetamide
CID 106200107
N-(5-amino-2-methylphenyl)-3-(cyclopentylmethoxy)propanamide
CID 66322376
N-(5-amino-2-fluorophenyl)-2-(4,4-dimethylcyclohexyl)oxyacetamide
CID 114340602
methyl 2-[3-(5-amino-2-fluoroanilino)-3-oxopropyl]sulfanylacetate
CID 43617946
N-(4-amino-2-methylphenyl)-3-hexoxypropanamide
CID 43127219
N-[2-amino-4-(trifluoromethyl)phenyl]-2-(2-cyclopropylethoxy)acetamide
CID 106199882

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2-fluorophenyl)-3-(2-cyclopropylethoxy)propanamide?
The IUPAC name of N-(5-amino-2-fluorophenyl)-3-(2-cyclopropylethoxy)propanamide (CID 106199880) is N-(5-amino-2-fluorophenyl)-3-(2-cyclopropylethoxy)propanamide.
What is the SMILES notation for N-(5-amino-2-fluorophenyl)-3-(2-cyclopropylethoxy)propanamide?
The canonical SMILES for N-(5-amino-2-fluorophenyl)-3-(2-cyclopropylethoxy)propanamide is Nc1ccc(F)c(NC(=O)CCOCCC2CC2)c1.
What is the InChIKey of N-(5-amino-2-fluorophenyl)-3-(2-cyclopropylethoxy)propanamide?
The InChIKey is TYTYEICNIKPSHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O2/c15-12-4-3-11(16)9-13(12)17-14(18)6-8-19-7-5-10-1-2-10/h3-4,9-10H,1-2,5-8,16H2,(H,17,18).
What are the key properties of N-(5-amino-2-fluorophenyl)-3-(2-cyclopropylethoxy)propanamide?
N-(5-amino-2-fluorophenyl)-3-(2-cyclopropylethoxy)propanamide has a molecular weight of 266.32 g/mol, XLogP of 2.55, 7 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-(2-cyclopropylethoxy)propanamide is sourced from PubChem (CID 106199880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).