2,4-difluoro-N-[3-(furan-2-ylmethylamino)-3-oxopropyl]benzamide

C15H14F2N2O3 — CID 51192536

IUPAC2,4-difluoro-N-[3-(furan-2-ylmethylamino)-3-oxopropyl]benzamide
SMILESO=C(CCNC(=O)c1ccc(F)cc1F)NCc1ccco1
InChIInChI=1S/C15H14F2N2O3/c16-10-3-4-12(13(17)8-10)15(21)18-6-5-14(20)19-9-11-2-1-7-22-11/h1-4,7-8H,5-6,9H2,(H,18,21)(H,19,20)
InChIKeyRCYUWXDJYCYWDE-UHFFFAOYSA-N
MW308.28 g/mol
LogP1.99
Rot. Bonds6

About 2,4-difluoro-N-[3-(furan-2-ylmethylamino)-3-oxopropyl]benzamide

2,4-difluoro-N-[3-(furan-2-ylmethylamino)-3-oxopropyl]benzamide (PubChem CID 51192536) has the molecular formula C15H14F2N2O3 and a molecular weight of 308.28 g/mol. Its IUPAC name is 2,4-difluoro-N-[3-(furan-2-ylmethylamino)-3-oxopropyl]benzamide.

Molecular Properties

Compound Name2,4-difluoro-N-[3-(furan-2-ylmethylamino)-3-oxopropyl]benzamide
PubChem CID51192536
Molecular FormulaC15H14F2N2O3
Molecular Weight308.28 g/mol
Exact Mass308.10
IUPAC Name2,4-difluoro-N-[3-(furan-2-ylmethylamino)-3-oxopropyl]benzamide
SMILESO=C(CCNC(=O)c1ccc(F)cc1F)NCc1ccco1
InChIInChI=1S/C15H14F2N2O3/c16-10-3-4-12(13(17)8-10)15(21)18-6-5-14(20)19-9-11-2-1-7-22-11/h1-4,7-8H,5-6,9H2,(H,18,21)(H,19,20)
InChIKeyRCYUWXDJYCYWDE-UHFFFAOYSA-N
XLogP1.99
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.28
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-4-fluoro-N-[3-[2-(furan-2-ylmethylcarbamoyl)anilino]-3-oxopropyl]benzamide
CID 55759596
2,4-difluoro-N-[3-[N-(furan-2-ylmethyl)-4-methylanilino]-3-oxopropyl]benzamide
CID 30670484
2,4-difluoro-N-[3-oxo-3-(2,2,2-trifluoroethylamino)propyl]benzamide
CID 78802712
2,4-difluoro-N-[3-[2-(2-fluorobenzoyl)hydrazinyl]-3-oxopropyl]benzamide
CID 30457128
N-[4-(benzylamino)-4-oxobutyl]-2,4-difluorobenzamide
CID 29414441
[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 2,4-difluorobenzoate
CID 2554865
2,4-difluoro-N-[4-[(3-fluorophenyl)methylamino]-4-oxobutyl]benzamide
CID 46424834
4-[(2,4-difluorobenzoyl)amino]-N-(furan-2-ylmethyl)-1H-pyrazole-5-carboxamide
CID 69378466
2,3,4-trifluoro-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]benzamide
CID 112992005
2,4-difluoro-N-[3-(2-hydroxyanilino)-3-oxopropyl]benzamide
CID 51314532
2-(5-fluoro-1-benzofuran-3-yl)-N-(furan-2-ylmethyl)acetamide
CID 110488713
2,4-difluoro-N-[3-oxo-3-(2-phenylsulfanylethylamino)propyl]benzamide
CID 42103921

Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-N-[3-(furan-2-ylmethylamino)-3-oxopropyl]benzamide?
The IUPAC name of 2,4-difluoro-N-[3-(furan-2-ylmethylamino)-3-oxopropyl]benzamide (CID 51192536) is 2,4-difluoro-N-[3-(furan-2-ylmethylamino)-3-oxopropyl]benzamide.
What is the SMILES notation for 2,4-difluoro-N-[3-(furan-2-ylmethylamino)-3-oxopropyl]benzamide?
The canonical SMILES for 2,4-difluoro-N-[3-(furan-2-ylmethylamino)-3-oxopropyl]benzamide is O=C(CCNC(=O)c1ccc(F)cc1F)NCc1ccco1.
What is the InChIKey of 2,4-difluoro-N-[3-(furan-2-ylmethylamino)-3-oxopropyl]benzamide?
The InChIKey is RCYUWXDJYCYWDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F2N2O3/c16-10-3-4-12(13(17)8-10)15(21)18-6-5-14(20)19-9-11-2-1-7-22-11/h1-4,7-8H,5-6,9H2,(H,18,21)(H,19,20).
What are the key properties of 2,4-difluoro-N-[3-(furan-2-ylmethylamino)-3-oxopropyl]benzamide?
2,4-difluoro-N-[3-(furan-2-ylmethylamino)-3-oxopropyl]benzamide has a molecular weight of 308.28 g/mol, XLogP of 1.99, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-N-[3-(furan-2-ylmethylamino)-3-oxopropyl]benzamide is sourced from PubChem (CID 51192536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).