2-[3-[(4-fluorophenyl)methyl-(prop-2-enylcarbamoyl)amino]phenyl]-N-(furan-2-ylmethyl)acetamide

C24H24FN3O3 — CID 42859183

IUPAC2-[3-[(4-fluorophenyl)methyl-(prop-2-enylcarbamoyl)amino]phenyl]-N-(furan-2-ylmethyl)acetamide
SMILESC=CCNC(=O)N(Cc1ccc(F)cc1)c1cccc(CC(=O)NCc2ccco2)c1
InChIInChI=1S/C24H24FN3O3/c1-2-12-26-24(30)28(17-18-8-10-20(25)11-9-18)21-6-3-5-19(14-21)15-23(29)27-16-22-7-4-13-31-22/h2-11,13-14H,1,12,15-17H2,(H,26,30)(H,27,29)
InChIKeyKLCLLPBWWYGITG-UHFFFAOYSA-N
MW421.47 g/mol
LogP4.18
Rot. Bonds9

About 2-[3-[(4-fluorophenyl)methyl-(prop-2-enylcarbamoyl)amino]phenyl]-N-(furan-2-ylmethyl)acetamide

2-[3-[(4-fluorophenyl)methyl-(prop-2-enylcarbamoyl)amino]phenyl]-N-(furan-2-ylmethyl)acetamide (PubChem CID 42859183) has the molecular formula C24H24FN3O3 and a molecular weight of 421.47 g/mol. Its IUPAC name is 2-[3-[(4-fluorophenyl)methyl-(prop-2-enylcarbamoyl)amino]phenyl]-N-(furan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[3-[(4-fluorophenyl)methyl-(prop-2-enylcarbamoyl)amino]phenyl]-N-(furan-2-ylmethyl)acetamide
PubChem CID42859183
Molecular FormulaC24H24FN3O3
Molecular Weight421.47 g/mol
Exact Mass421.18
IUPAC Name2-[3-[(4-fluorophenyl)methyl-(prop-2-enylcarbamoyl)amino]phenyl]-N-(furan-2-ylmethyl)acetamide
SMILESC=CCNC(=O)N(Cc1ccc(F)cc1)c1cccc(CC(=O)NCc2ccco2)c1
InChIInChI=1S/C24H24FN3O3/c1-2-12-26-24(30)28(17-18-8-10-20(25)11-9-18)21-6-3-5-19(14-21)15-23(29)27-16-22-7-4-13-31-22/h2-11,13-14H,1,12,15-17H2,(H,26,30)(H,27,29)
InChIKeyKLCLLPBWWYGITG-UHFFFAOYSA-N
XLogP4.18
TPSA74.58 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.47
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(1,3-benzodioxol-5-ylmethyl)-2-[3-[(4-fluorophenyl)methyl-(prop-2-enylcarbamoyl)amino]phenyl]acetamide
CID 46056381
N-(cyclopropylmethyl)-2-[3-[(4-fluorophenyl)methyl-(prop-2-enylcarbamoyl)amino]phenyl]acetamide
CID 46056385
N-benzyl-N-[3-[2-oxo-2-(prop-2-enylamino)ethyl]phenyl]furan-2-carboxamide
CID 46056418
3-fluoro-N-[4-[2-(furan-2-ylmethylamino)-2-oxoethyl]phenyl]-N-[(4-methylphenyl)methyl]benzamide
CID 46045747
N-[(4-fluorophenyl)methyl]-N-[3-[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl]phenyl]propanamide
CID 46056787
N-[(4-fluorophenyl)methyl]-N-[4-[2-oxo-2-(prop-2-enylamino)ethyl]phenyl]benzamide
CID 46046401
N-[(3-fluorophenyl)methyl]-N-[4-[2-(furan-2-ylmethylamino)-2-oxoethyl]phenyl]-3-methoxybenzamide
CID 46045951
N-benzyl-N-[3-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]phenyl]-3-phenylprop-2-enamide
CID 71957937
5-[[(3-fluorophenyl)methyl-[(4-fluorophenyl)methyl]amino]methyl]-N-(furan-2-ylmethyl)furan-2-carboxamide
CID 42753728
N-[4-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]phenyl]-N-[(3-methylphenyl)methyl]furan-2-carboxamide
CID 46046322
3-fluoro-N-[3-[2-(4-fluoroanilino)-2-oxoethyl]phenyl]-N-[(4-fluorophenyl)methyl]benzamide
CID 42859475
N-(furan-2-ylmethyl)-2-(3-methylphenyl)acetamide
CID 6466784

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(4-fluorophenyl)methyl-(prop-2-enylcarbamoyl)amino]phenyl]-N-(furan-2-ylmethyl)acetamide?
The IUPAC name of 2-[3-[(4-fluorophenyl)methyl-(prop-2-enylcarbamoyl)amino]phenyl]-N-(furan-2-ylmethyl)acetamide (CID 42859183) is 2-[3-[(4-fluorophenyl)methyl-(prop-2-enylcarbamoyl)amino]phenyl]-N-(furan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[3-[(4-fluorophenyl)methyl-(prop-2-enylcarbamoyl)amino]phenyl]-N-(furan-2-ylmethyl)acetamide?
The canonical SMILES for 2-[3-[(4-fluorophenyl)methyl-(prop-2-enylcarbamoyl)amino]phenyl]-N-(furan-2-ylmethyl)acetamide is C=CCNC(=O)N(Cc1ccc(F)cc1)c1cccc(CC(=O)NCc2ccco2)c1.
What is the InChIKey of 2-[3-[(4-fluorophenyl)methyl-(prop-2-enylcarbamoyl)amino]phenyl]-N-(furan-2-ylmethyl)acetamide?
The InChIKey is KLCLLPBWWYGITG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FN3O3/c1-2-12-26-24(30)28(17-18-8-10-20(25)11-9-18)21-6-3-5-19(14-21)15-23(29)27-16-22-7-4-13-31-22/h2-11,13-14H,1,12,15-17H2,(H,26,30)(H,27,29).
What are the key properties of 2-[3-[(4-fluorophenyl)methyl-(prop-2-enylcarbamoyl)amino]phenyl]-N-(furan-2-ylmethyl)acetamide?
2-[3-[(4-fluorophenyl)methyl-(prop-2-enylcarbamoyl)amino]phenyl]-N-(furan-2-ylmethyl)acetamide has a molecular weight of 421.47 g/mol, XLogP of 4.18, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(4-fluorophenyl)methyl-(prop-2-enylcarbamoyl)amino]phenyl]-N-(furan-2-ylmethyl)acetamide is sourced from PubChem (CID 42859183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).