4-fluoro-N-[4-[1-[3-(furan-2-yl)prop-2-enoylamino]ethyl]phenyl]benzamide

C22H19FN2O3 — CID 76866558

IUPAC4-fluoro-N-[4-[1-[3-(furan-2-yl)prop-2-enoylamino]ethyl]phenyl]benzamide
SMILESCC(NC(=O)C=Cc1ccco1)c1ccc(NC(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C22H19FN2O3/c1-15(24-21(26)13-12-20-3-2-14-28-20)16-6-10-19(11-7-16)25-22(27)17-4-8-18(23)9-5-17/h2-15H,1H3,(H,24,26)(H,25,27)
InChIKeyCWXSSIJCDDPHSB-UHFFFAOYSA-N
MW378.40 g/mol
LogP4.56
Rot. Bonds6

About 4-fluoro-N-[4-[1-[3-(furan-2-yl)prop-2-enoylamino]ethyl]phenyl]benzamide

4-fluoro-N-[4-[1-[3-(furan-2-yl)prop-2-enoylamino]ethyl]phenyl]benzamide (PubChem CID 76866558) has the molecular formula C22H19FN2O3 and a molecular weight of 378.40 g/mol. Its IUPAC name is 4-fluoro-N-[4-[1-[3-(furan-2-yl)prop-2-enoylamino]ethyl]phenyl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[4-[1-[3-(furan-2-yl)prop-2-enoylamino]ethyl]phenyl]benzamide
PubChem CID76866558
Molecular FormulaC22H19FN2O3
Molecular Weight378.40 g/mol
Exact Mass378.14
IUPAC Name4-fluoro-N-[4-[1-[3-(furan-2-yl)prop-2-enoylamino]ethyl]phenyl]benzamide
SMILESCC(NC(=O)C=Cc1ccco1)c1ccc(NC(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C22H19FN2O3/c1-15(24-21(26)13-12-20-3-2-14-28-20)16-6-10-19(11-7-16)25-22(27)17-4-8-18(23)9-5-17/h2-15H,1H3,(H,24,26)(H,25,27)
InChIKeyCWXSSIJCDDPHSB-UHFFFAOYSA-N
XLogP4.56
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.40
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-fluoro-N-[4-[1-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]ethyl]phenyl]benzamide
CID 60537830
(E)-3-(furan-2-yl)-N-[(1S)-1-[4-(2-methylpropyl)phenyl]ethyl]prop-2-enamide
CID 7936596
2-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]-N-(1-phenylethyl)benzamide
CID 42996288
methyl 2-[[4-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]benzoyl]amino]-3-hydroxybutanoate
CID 139401672
2-fluoro-N-[1-[4-[(4-fluorobenzoyl)amino]phenyl]ethyl]benzamide
CID 55916551
N-[4-[1-[3-(4-ethoxy-3-methoxyphenyl)prop-2-enoylamino]ethyl]phenyl]-4-fluorobenzamide
CID 76866561
N-[1-(4-fluorophenyl)ethyl]-4-(prop-2-enoylamino)benzamide
CID 175156198
N-[1-[4-[(4-fluorobenzoyl)amino]phenyl]ethyl]oxirane-2-carboxamide
CID 154796734
(E)-N-[(1S)-1-(3-chlorophenyl)ethyl]-3-(furan-2-yl)prop-2-enamide
CID 7944605
N-[(Z)-3-[[(1R)-1-(4-fluorophenyl)ethyl]amino]-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]benzamide
CID 100586118
methyl 4-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]benzoate
CID 963838
N-(2,3-dimethylphenyl)-4-[3-(furan-2-yl)prop-2-enoylamino]benzamide
CID 1292346

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[4-[1-[3-(furan-2-yl)prop-2-enoylamino]ethyl]phenyl]benzamide?
The IUPAC name of 4-fluoro-N-[4-[1-[3-(furan-2-yl)prop-2-enoylamino]ethyl]phenyl]benzamide (CID 76866558) is 4-fluoro-N-[4-[1-[3-(furan-2-yl)prop-2-enoylamino]ethyl]phenyl]benzamide.
What is the SMILES notation for 4-fluoro-N-[4-[1-[3-(furan-2-yl)prop-2-enoylamino]ethyl]phenyl]benzamide?
The canonical SMILES for 4-fluoro-N-[4-[1-[3-(furan-2-yl)prop-2-enoylamino]ethyl]phenyl]benzamide is CC(NC(=O)C=Cc1ccco1)c1ccc(NC(=O)c2ccc(F)cc2)cc1.
What is the InChIKey of 4-fluoro-N-[4-[1-[3-(furan-2-yl)prop-2-enoylamino]ethyl]phenyl]benzamide?
The InChIKey is CWXSSIJCDDPHSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19FN2O3/c1-15(24-21(26)13-12-20-3-2-14-28-20)16-6-10-19(11-7-16)25-22(27)17-4-8-18(23)9-5-17/h2-15H,1H3,(H,24,26)(H,25,27).
What are the key properties of 4-fluoro-N-[4-[1-[3-(furan-2-yl)prop-2-enoylamino]ethyl]phenyl]benzamide?
4-fluoro-N-[4-[1-[3-(furan-2-yl)prop-2-enoylamino]ethyl]phenyl]benzamide has a molecular weight of 378.40 g/mol, XLogP of 4.56, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[4-[1-[3-(furan-2-yl)prop-2-enoylamino]ethyl]phenyl]benzamide is sourced from PubChem (CID 76866558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).