2,6-difluoro-N-[2-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]ethyl]benzamide

C16H14F2N2O3 — CID 56789002

IUPAC2,6-difluoro-N-[2-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]ethyl]benzamide
SMILESO=C(/C=C/c1ccco1)NCCNC(=O)c1c(F)cccc1F
InChIInChI=1S/C16H14F2N2O3/c17-12-4-1-5-13(18)15(12)16(22)20-9-8-19-14(21)7-6-11-3-2-10-23-11/h1-7,10H,8-9H2,(H,19,21)(H,20,22)/b7-6+
InChIKeyVOAKQYLFXBEWQB-VOTSOKGWSA-N
MW320.30 g/mol
LogP2.12
Rot. Bonds6

About 2,6-difluoro-N-[2-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]ethyl]benzamide

2,6-difluoro-N-[2-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]ethyl]benzamide (PubChem CID 56789002) has the molecular formula C16H14F2N2O3 and a molecular weight of 320.30 g/mol. Its IUPAC name is 2,6-difluoro-N-[2-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]ethyl]benzamide.

Molecular Properties

Compound Name2,6-difluoro-N-[2-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]ethyl]benzamide
PubChem CID56789002
Molecular FormulaC16H14F2N2O3
Molecular Weight320.30 g/mol
Exact Mass320.10
IUPAC Name2,6-difluoro-N-[2-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]ethyl]benzamide
SMILESO=C(/C=C/c1ccco1)NCCNC(=O)c1c(F)cccc1F
InChIInChI=1S/C16H14F2N2O3/c17-12-4-1-5-13(18)15(12)16(22)20-9-8-19-14(21)7-6-11-3-2-10-23-11/h1-7,10H,8-9H2,(H,19,21)(H,20,22)/b7-6+
InChIKeyVOAKQYLFXBEWQB-VOTSOKGWSA-N
XLogP2.12
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.30
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-N-[2-(4-fluorophenyl)ethyl]-3-(furan-2-yl)prop-2-enamide
CID 7700192
(E)-3-(furan-2-yl)-N-(3-hydroxypropyl)prop-2-enamide
CID 43389898
(E)-3-(furan-2-yl)-N-(hydroxymethyl)prop-2-enamide
CID 131239465
(E)-3-(furan-2-yl)-N-(3-methoxypropyl)prop-2-enamide
CID 6162293
(E)-3-(furan-2-yl)-N-(2-phenylethyl)prop-2-enamide
CID 790283
5-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]pentanoic acid
CID 62033778
3-(furan-2-yl)-N-hexylprop-2-enamide
CID 3705621
(E)-3-(furan-2-yl)-N-pent-3-ynylprop-2-enamide
CID 115979782
(E)-N-[2-(cycloheptylamino)ethyl]-3-(furan-2-yl)prop-2-enamide
CID 81483200
(E)-N-(2,2-difluoro-3-hydroxypropyl)-3-(furan-2-yl)prop-2-enamide
CID 104857087
(E)-N-(3,3-difluoro-2-hydroxypropyl)-3-(furan-2-yl)prop-2-enamide
CID 103769714
(E)-N-[(4-chlorophenyl)methyl]-3-(furan-2-yl)prop-2-enamide
CID 779270

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-N-[2-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]ethyl]benzamide?
The IUPAC name of 2,6-difluoro-N-[2-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]ethyl]benzamide (CID 56789002) is 2,6-difluoro-N-[2-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]ethyl]benzamide.
What is the SMILES notation for 2,6-difluoro-N-[2-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]ethyl]benzamide?
The canonical SMILES for 2,6-difluoro-N-[2-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]ethyl]benzamide is O=C(/C=C/c1ccco1)NCCNC(=O)c1c(F)cccc1F.
What is the InChIKey of 2,6-difluoro-N-[2-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]ethyl]benzamide?
The InChIKey is VOAKQYLFXBEWQB-VOTSOKGWSA-N. The full InChI is InChI=1S/C16H14F2N2O3/c17-12-4-1-5-13(18)15(12)16(22)20-9-8-19-14(21)7-6-11-3-2-10-23-11/h1-7,10H,8-9H2,(H,19,21)(H,20,22)/b7-6+.
What are the key properties of 2,6-difluoro-N-[2-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]ethyl]benzamide?
2,6-difluoro-N-[2-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]ethyl]benzamide has a molecular weight of 320.30 g/mol, XLogP of 2.12, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-N-[2-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]ethyl]benzamide is sourced from PubChem (CID 56789002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).