N-[2-[3-[5-(2-fluorophenyl)furan-2-yl]propanoylamino]ethyl]furan-2-carboxamide

C20H19FN2O4 — CID 24683496

IUPACN-[2-[3-[5-(2-fluorophenyl)furan-2-yl]propanoylamino]ethyl]furan-2-carboxamide
SMILESO=C(CCc1ccc(-c2ccccc2F)o1)NCCNC(=O)c1ccco1
InChIInChI=1S/C20H19FN2O4/c21-16-5-2-1-4-15(16)17-9-7-14(27-17)8-10-19(24)22-11-12-23-20(25)18-6-3-13-26-18/h1-7,9,13H,8,10-12H2,(H,22,24)(H,23,25)
InChIKeyXMDYEVLFJWGITD-UHFFFAOYSA-N
MW370.38 g/mol
LogP3.16
Rot. Bonds8

About N-[2-[3-[5-(2-fluorophenyl)furan-2-yl]propanoylamino]ethyl]furan-2-carboxamide

N-[2-[3-[5-(2-fluorophenyl)furan-2-yl]propanoylamino]ethyl]furan-2-carboxamide (PubChem CID 24683496) has the molecular formula C20H19FN2O4 and a molecular weight of 370.38 g/mol. Its IUPAC name is N-[2-[3-[5-(2-fluorophenyl)furan-2-yl]propanoylamino]ethyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-[3-[5-(2-fluorophenyl)furan-2-yl]propanoylamino]ethyl]furan-2-carboxamide
PubChem CID24683496
Molecular FormulaC20H19FN2O4
Molecular Weight370.38 g/mol
Exact Mass370.13
IUPAC NameN-[2-[3-[5-(2-fluorophenyl)furan-2-yl]propanoylamino]ethyl]furan-2-carboxamide
SMILESO=C(CCc1ccc(-c2ccccc2F)o1)NCCNC(=O)c1ccco1
InChIInChI=1S/C20H19FN2O4/c21-16-5-2-1-4-15(16)17-9-7-14(27-17)8-10-19(24)22-11-12-23-20(25)18-6-3-13-26-18/h1-7,9,13H,8,10-12H2,(H,22,24)(H,23,25)
InChIKeyXMDYEVLFJWGITD-UHFFFAOYSA-N
XLogP3.16
TPSA84.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.38
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-acetamidoethyl)-3-[5-(2-fluorophenyl)furan-2-yl]propanamide
CID 30598254
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
3-[5-(2-fluorophenyl)furan-2-yl]-N-(2-phenoxyethyl)propanamide
CID 32934045
2-[2-[3-[5-(2-fluorophenyl)furan-2-yl]propanoylamino]ethylsulfanyl]acetic acid
CID 119242104
N-[2-[4-(difluoromethoxy)phenyl]ethyl]-3-[5-(2-fluorophenyl)furan-2-yl]propanamide
CID 134041285
N-[2-[3-(2-fluorophenyl)sulfanylpropanoylamino]ethyl]furan-2-carboxamide
CID 34452082
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-[5-(2-fluorophenyl)furan-2-yl]propanamide
CID 9404529
N-[(4-fluoro-3-methylphenyl)methyl]-3-[5-(2-fluorophenyl)furan-2-yl]propanamide
CID 16580078
N-[2-(3-aminopropanoylamino)ethyl]furan-2-carboxamide;hydrochloride
CID 119278257
3-[5-(2-fluorophenyl)furan-2-yl]-N-[2-(4-phenylpiperazin-1-yl)ethyl]propanamide
CID 30885363
N-[2-(cyclopropylamino)-2-oxoethyl]-3-[5-(2-fluorophenyl)furan-2-yl]propanamide
CID 18163857

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-[5-(2-fluorophenyl)furan-2-yl]propanoylamino]ethyl]furan-2-carboxamide?
The IUPAC name of N-[2-[3-[5-(2-fluorophenyl)furan-2-yl]propanoylamino]ethyl]furan-2-carboxamide (CID 24683496) is N-[2-[3-[5-(2-fluorophenyl)furan-2-yl]propanoylamino]ethyl]furan-2-carboxamide.
What is the SMILES notation for N-[2-[3-[5-(2-fluorophenyl)furan-2-yl]propanoylamino]ethyl]furan-2-carboxamide?
The canonical SMILES for N-[2-[3-[5-(2-fluorophenyl)furan-2-yl]propanoylamino]ethyl]furan-2-carboxamide is O=C(CCc1ccc(-c2ccccc2F)o1)NCCNC(=O)c1ccco1.
What is the InChIKey of N-[2-[3-[5-(2-fluorophenyl)furan-2-yl]propanoylamino]ethyl]furan-2-carboxamide?
The InChIKey is XMDYEVLFJWGITD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN2O4/c21-16-5-2-1-4-15(16)17-9-7-14(27-17)8-10-19(24)22-11-12-23-20(25)18-6-3-13-26-18/h1-7,9,13H,8,10-12H2,(H,22,24)(H,23,25).
What are the key properties of N-[2-[3-[5-(2-fluorophenyl)furan-2-yl]propanoylamino]ethyl]furan-2-carboxamide?
N-[2-[3-[5-(2-fluorophenyl)furan-2-yl]propanoylamino]ethyl]furan-2-carboxamide has a molecular weight of 370.38 g/mol, XLogP of 3.16, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-[5-(2-fluorophenyl)furan-2-yl]propanoylamino]ethyl]furan-2-carboxamide is sourced from PubChem (CID 24683496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).