N-(2-acetamidoethyl)-3-[5-(2-fluorophenyl)furan-2-yl]propanamide

C17H19FN2O3 — CID 30598254

IUPACN-(2-acetamidoethyl)-3-[5-(2-fluorophenyl)furan-2-yl]propanamide
SMILESCC(=O)NCCNC(=O)CCc1ccc(-c2ccccc2F)o1
InChIInChI=1S/C17H19FN2O3/c1-12(21)19-10-11-20-17(22)9-7-13-6-8-16(23-13)14-4-2-3-5-15(14)18/h2-6,8H,7,9-11H2,1H3,(H,19,21)(H,20,22)
InChIKeyKSKHXCCAUIOZDM-UHFFFAOYSA-N
MW318.35 g/mol
LogP2.27
Rot. Bonds7

About N-(2-acetamidoethyl)-3-[5-(2-fluorophenyl)furan-2-yl]propanamide

N-(2-acetamidoethyl)-3-[5-(2-fluorophenyl)furan-2-yl]propanamide (PubChem CID 30598254) has the molecular formula C17H19FN2O3 and a molecular weight of 318.35 g/mol. Its IUPAC name is N-(2-acetamidoethyl)-3-[5-(2-fluorophenyl)furan-2-yl]propanamide.

Molecular Properties

Compound NameN-(2-acetamidoethyl)-3-[5-(2-fluorophenyl)furan-2-yl]propanamide
PubChem CID30598254
Molecular FormulaC17H19FN2O3
Molecular Weight318.35 g/mol
Exact Mass318.14
IUPAC NameN-(2-acetamidoethyl)-3-[5-(2-fluorophenyl)furan-2-yl]propanamide
SMILESCC(=O)NCCNC(=O)CCc1ccc(-c2ccccc2F)o1
InChIInChI=1S/C17H19FN2O3/c1-12(21)19-10-11-20-17(22)9-7-13-6-8-16(23-13)14-4-2-3-5-15(14)18/h2-6,8H,7,9-11H2,1H3,(H,19,21)(H,20,22)
InChIKeyKSKHXCCAUIOZDM-UHFFFAOYSA-N
XLogP2.27
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.35
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(ethylamino)ethyl]-3-[5-(2-fluorophenyl)furan-2-yl]propanamide
CID 119506756
N-(3-aminobutyl)-3-[5-(2-fluorophenyl)furan-2-yl]propanamide
CID 119496957
N-[2-[3-[5-(2-fluorophenyl)furan-2-yl]propanoylamino]ethyl]furan-2-carboxamide
CID 24683496
3-[5-(2-fluorophenyl)furan-2-yl]-N-(2-phenoxyethyl)propanamide
CID 32934045
N-[3-[ethylsulfonyl(methyl)amino]propyl]-3-[5-(2-fluorophenyl)furan-2-yl]propanamide
CID 55693711
2-[2-[3-[5-(2-fluorophenyl)furan-2-yl]propanoylamino]ethylsulfanyl]acetic acid
CID 119242104
3-[5-(2-fluorophenyl)furan-2-yl]-N-[2-(methylamino)propyl]propanamide;hydrochloride
CID 120827866
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-[5-(2-fluorophenyl)furan-2-yl]propanamide
CID 9404529
N-[2-[4-(difluoromethoxy)phenyl]ethyl]-3-[5-(2-fluorophenyl)furan-2-yl]propanamide
CID 134041285
N-[(4-fluoro-3-methylphenyl)methyl]-3-[5-(2-fluorophenyl)furan-2-yl]propanamide
CID 16580078
3-[5-(2-fluorophenyl)furan-2-yl]-N-[2-(4-phenylpiperazin-1-yl)ethyl]propanamide
CID 30885363
3-[5-(2-fluorophenyl)furan-2-yl]-N-(2-methylbutan-2-yl)propanamide
CID 46554729

Frequently Asked Questions

What is the IUPAC name of N-(2-acetamidoethyl)-3-[5-(2-fluorophenyl)furan-2-yl]propanamide?
The IUPAC name of N-(2-acetamidoethyl)-3-[5-(2-fluorophenyl)furan-2-yl]propanamide (CID 30598254) is N-(2-acetamidoethyl)-3-[5-(2-fluorophenyl)furan-2-yl]propanamide.
What is the SMILES notation for N-(2-acetamidoethyl)-3-[5-(2-fluorophenyl)furan-2-yl]propanamide?
The canonical SMILES for N-(2-acetamidoethyl)-3-[5-(2-fluorophenyl)furan-2-yl]propanamide is CC(=O)NCCNC(=O)CCc1ccc(-c2ccccc2F)o1.
What is the InChIKey of N-(2-acetamidoethyl)-3-[5-(2-fluorophenyl)furan-2-yl]propanamide?
The InChIKey is KSKHXCCAUIOZDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2O3/c1-12(21)19-10-11-20-17(22)9-7-13-6-8-16(23-13)14-4-2-3-5-15(14)18/h2-6,8H,7,9-11H2,1H3,(H,19,21)(H,20,22).
What are the key properties of N-(2-acetamidoethyl)-3-[5-(2-fluorophenyl)furan-2-yl]propanamide?
N-(2-acetamidoethyl)-3-[5-(2-fluorophenyl)furan-2-yl]propanamide has a molecular weight of 318.35 g/mol, XLogP of 2.27, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-acetamidoethyl)-3-[5-(2-fluorophenyl)furan-2-yl]propanamide is sourced from PubChem (CID 30598254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).