N-(3,4-difluorophenyl)-3-(3-phenylprop-2-enoylamino)-1-benzofuran-2-carboxamide

C24H16F2N2O3 — CID 71962835

IUPACN-(3,4-difluorophenyl)-3-(3-phenylprop-2-enoylamino)-1-benzofuran-2-carboxamide
SMILESO=C(C=Cc1ccccc1)Nc1c(C(=O)Nc2ccc(F)c(F)c2)oc2ccccc12
InChIInChI=1S/C24H16F2N2O3/c25-18-12-11-16(14-19(18)26)27-24(30)23-22(17-8-4-5-9-20(17)31-23)28-21(29)13-10-15-6-2-1-3-7-15/h1-14H,(H,27,30)(H,28,29)
InChIKeyZVBWHIDRHKEZLS-UHFFFAOYSA-N
MW418.40 g/mol
LogP5.62
Rot. Bonds5

About N-(3,4-difluorophenyl)-3-(3-phenylprop-2-enoylamino)-1-benzofuran-2-carboxamide

N-(3,4-difluorophenyl)-3-(3-phenylprop-2-enoylamino)-1-benzofuran-2-carboxamide (PubChem CID 71962835) has the molecular formula C24H16F2N2O3 and a molecular weight of 418.40 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)-3-(3-phenylprop-2-enoylamino)-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-(3,4-difluorophenyl)-3-(3-phenylprop-2-enoylamino)-1-benzofuran-2-carboxamide
PubChem CID71962835
Molecular FormulaC24H16F2N2O3
Molecular Weight418.40 g/mol
Exact Mass418.11
IUPAC NameN-(3,4-difluorophenyl)-3-(3-phenylprop-2-enoylamino)-1-benzofuran-2-carboxamide
SMILESO=C(C=Cc1ccccc1)Nc1c(C(=O)Nc2ccc(F)c(F)c2)oc2ccccc12
InChIInChI=1S/C24H16F2N2O3/c25-18-12-11-16(14-19(18)26)27-24(30)23-22(17-8-4-5-9-20(17)31-23)28-21(29)13-10-15-6-2-1-3-7-15/h1-14H,(H,27,30)(H,28,29)
InChIKeyZVBWHIDRHKEZLS-UHFFFAOYSA-N
XLogP5.62
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.40
LogP ≤ 55.62
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

N-(3-fluorophenyl)-3-[[(E)-3-phenylprop-2-enoyl]amino]-1-benzofuran-2-carboxamide
CID 93153212
3-benzamido-N-(3,4-difluorophenyl)-1-benzofuran-2-carboxamide
CID 7204931
N-(4-methoxyphenyl)-3-(3-phenylprop-2-enoylamino)-1-benzofuran-2-carboxamide
CID 7159740
N-(3,4-difluorophenyl)-3-(3,3-dimethylbutanoylamino)-1-benzofuran-2-carboxamide
CID 7501898
N-(3,4-difluorophenyl)-3-(2-ethylbutanoylamino)-1-benzofuran-2-carboxamide
CID 7501899
3-(3-chloropropanoylamino)-N-(3,4-difluorophenyl)-1-benzofuran-2-carboxamide
CID 7501910
3-[(2-cyclopentylacetyl)amino]-N-(3,4-difluorophenyl)-1-benzofuran-2-carboxamide
CID 7501903
3-[[(Z)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino]-N-(4-methylphenyl)-1-benzofuran-2-carboxamide
CID 16814881
N-(3,4-difluorophenyl)-3-[[2-(3-methylphenoxy)acetyl]amino]-1-benzofuran-2-carboxamide
CID 16817822
3-[(3,4-difluorobenzoyl)amino]-N-(4-nitrophenyl)-1-benzofuran-2-carboxamide
CID 16814793
(E)-N-dibenzofuran-2-yl-3-(4-fluorophenyl)prop-2-enamide
CID 16552380
(E)-N-[2-(4-methoxybenzoyl)-1-benzofuran-3-yl]-3-phenylprop-2-enamide
CID 1341670

Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluorophenyl)-3-(3-phenylprop-2-enoylamino)-1-benzofuran-2-carboxamide?
The IUPAC name of N-(3,4-difluorophenyl)-3-(3-phenylprop-2-enoylamino)-1-benzofuran-2-carboxamide (CID 71962835) is N-(3,4-difluorophenyl)-3-(3-phenylprop-2-enoylamino)-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-(3,4-difluorophenyl)-3-(3-phenylprop-2-enoylamino)-1-benzofuran-2-carboxamide?
The canonical SMILES for N-(3,4-difluorophenyl)-3-(3-phenylprop-2-enoylamino)-1-benzofuran-2-carboxamide is O=C(C=Cc1ccccc1)Nc1c(C(=O)Nc2ccc(F)c(F)c2)oc2ccccc12.
What is the InChIKey of N-(3,4-difluorophenyl)-3-(3-phenylprop-2-enoylamino)-1-benzofuran-2-carboxamide?
The InChIKey is ZVBWHIDRHKEZLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16F2N2O3/c25-18-12-11-16(14-19(18)26)27-24(30)23-22(17-8-4-5-9-20(17)31-23)28-21(29)13-10-15-6-2-1-3-7-15/h1-14H,(H,27,30)(H,28,29).
What are the key properties of N-(3,4-difluorophenyl)-3-(3-phenylprop-2-enoylamino)-1-benzofuran-2-carboxamide?
N-(3,4-difluorophenyl)-3-(3-phenylprop-2-enoylamino)-1-benzofuran-2-carboxamide has a molecular weight of 418.40 g/mol, XLogP of 5.62, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-difluorophenyl)-3-(3-phenylprop-2-enoylamino)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 71962835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).