N-[3-(3-fluoroanilino)-3-oxopropyl]furan-3-carboxamide

C14H13FN2O3 — CID 39887869

IUPACN-[3-(3-fluoroanilino)-3-oxopropyl]furan-3-carboxamide
SMILESO=C(CCNC(=O)c1ccoc1)Nc1cccc(F)c1
InChIInChI=1S/C14H13FN2O3/c15-11-2-1-3-12(8-11)17-13(18)4-6-16-14(19)10-5-7-20-9-10/h1-3,5,7-9H,4,6H2,(H,16,19)(H,17,18)
InChIKeyGMDSQSCUNMXMHW-UHFFFAOYSA-N
MW276.27 g/mol
LogP2.18
Rot. Bonds5

About N-[3-(3-fluoroanilino)-3-oxopropyl]furan-3-carboxamide

N-[3-(3-fluoroanilino)-3-oxopropyl]furan-3-carboxamide (PubChem CID 39887869) has the molecular formula C14H13FN2O3 and a molecular weight of 276.27 g/mol. Its IUPAC name is N-[3-(3-fluoroanilino)-3-oxopropyl]furan-3-carboxamide.

Molecular Properties

Compound NameN-[3-(3-fluoroanilino)-3-oxopropyl]furan-3-carboxamide
PubChem CID39887869
Molecular FormulaC14H13FN2O3
Molecular Weight276.27 g/mol
Exact Mass276.09
IUPAC NameN-[3-(3-fluoroanilino)-3-oxopropyl]furan-3-carboxamide
SMILESO=C(CCNC(=O)c1ccoc1)Nc1cccc(F)c1
InChIInChI=1S/C14H13FN2O3/c15-11-2-1-3-12(8-11)17-13(18)4-6-16-14(19)10-5-7-20-9-10/h1-3,5,7-9H,4,6H2,(H,16,19)(H,17,18)
InChIKeyGMDSQSCUNMXMHW-UHFFFAOYSA-N
XLogP2.18
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.27
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[3-(3-fluoroanilino)-3-oxopropyl]furan-3-carboxamide?
The IUPAC name of N-[3-(3-fluoroanilino)-3-oxopropyl]furan-3-carboxamide (CID 39887869) is N-[3-(3-fluoroanilino)-3-oxopropyl]furan-3-carboxamide.
What is the SMILES notation for N-[3-(3-fluoroanilino)-3-oxopropyl]furan-3-carboxamide?
The canonical SMILES for N-[3-(3-fluoroanilino)-3-oxopropyl]furan-3-carboxamide is O=C(CCNC(=O)c1ccoc1)Nc1cccc(F)c1.
What is the InChIKey of N-[3-(3-fluoroanilino)-3-oxopropyl]furan-3-carboxamide?
The InChIKey is GMDSQSCUNMXMHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN2O3/c15-11-2-1-3-12(8-11)17-13(18)4-6-16-14(19)10-5-7-20-9-10/h1-3,5,7-9H,4,6H2,(H,16,19)(H,17,18).
What are the key properties of N-[3-(3-fluoroanilino)-3-oxopropyl]furan-3-carboxamide?
N-[3-(3-fluoroanilino)-3-oxopropyl]furan-3-carboxamide has a molecular weight of 276.27 g/mol, XLogP of 2.18, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-fluoroanilino)-3-oxopropyl]furan-3-carboxamide is sourced from PubChem (CID 39887869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).