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

C22H14F2N2O3 — CID 7204931

IUPAC3-benzamido-N-(3,4-difluorophenyl)-1-benzofuran-2-carboxamide
SMILESO=C(Nc1c(C(=O)Nc2ccc(F)c(F)c2)oc2ccccc12)c1ccccc1
InChIInChI=1S/C22H14F2N2O3/c23-16-11-10-14(12-17(16)24)25-22(28)20-19(15-8-4-5-9-18(15)29-20)26-21(27)13-6-2-1-3-7-13/h1-12H,(H,25,28)(H,26,27)
InChIKeyHUKCRAHRHADLPD-UHFFFAOYSA-N
MW392.36 g/mol
LogP5.22
Rot. Bonds4

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

3-benzamido-N-(3,4-difluorophenyl)-1-benzofuran-2-carboxamide (PubChem CID 7204931) has the molecular formula C22H14F2N2O3 and a molecular weight of 392.36 g/mol. Its IUPAC name is 3-benzamido-N-(3,4-difluorophenyl)-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name3-benzamido-N-(3,4-difluorophenyl)-1-benzofuran-2-carboxamide
PubChem CID7204931
Molecular FormulaC22H14F2N2O3
Molecular Weight392.36 g/mol
Exact Mass392.10
IUPAC Name3-benzamido-N-(3,4-difluorophenyl)-1-benzofuran-2-carboxamide
SMILESO=C(Nc1c(C(=O)Nc2ccc(F)c(F)c2)oc2ccccc12)c1ccccc1
InChIInChI=1S/C22H14F2N2O3/c23-16-11-10-14(12-17(16)24)25-22(28)20-19(15-8-4-5-9-18(15)29-20)26-21(27)13-6-2-1-3-7-13/h1-12H,(H,25,28)(H,26,27)
InChIKeyHUKCRAHRHADLPD-UHFFFAOYSA-N
XLogP5.22
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.36
LogP ≤ 55.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3,4-difluorophenyl)-3-(3-phenylprop-2-enoylamino)-1-benzofuran-2-carboxamide
CID 71962835
3-(3-chloropropanoylamino)-N-(3,4-difluorophenyl)-1-benzofuran-2-carboxamide
CID 7501910
N-(3,4-difluorophenyl)-3-(2-ethylbutanoylamino)-1-benzofuran-2-carboxamide
CID 7501899
N-(3,4-difluorophenyl)-3-(3,3-dimethylbutanoylamino)-1-benzofuran-2-carboxamide
CID 7501898
3-[(3,4-difluorobenzoyl)amino]-N-(4-nitrophenyl)-1-benzofuran-2-carboxamide
CID 16814793
3-[(2-cyclopentylacetyl)amino]-N-(3,4-difluorophenyl)-1-benzofuran-2-carboxamide
CID 7501903
N-(3,4-dimethylphenyl)-3-[(4-phenylbenzoyl)amino]-1-benzofuran-2-carboxamide
CID 16817911
N-(3,4-difluorophenyl)-3-[[2-(3-methylphenoxy)acetyl]amino]-1-benzofuran-2-carboxamide
CID 16817822
3-benzamido-N-(4-ethoxyphenyl)-1-benzofuran-2-carboxamide
CID 20875337
3-[(3-chlorobenzoyl)amino]-N-(3,4-dimethylphenyl)-1-benzofuran-2-carboxamide
CID 16817884
N-(3-chloro-4-fluorophenyl)-3-(cyclopropanecarbonylamino)-1-benzofuran-2-carboxamide
CID 7200191
N-(3-fluorophenyl)-3-[(3-methoxybenzoyl)amino]-1-benzofuran-2-carboxamide
CID 20875257

Frequently Asked Questions

What is the IUPAC name of 3-benzamido-N-(3,4-difluorophenyl)-1-benzofuran-2-carboxamide?
The IUPAC name of 3-benzamido-N-(3,4-difluorophenyl)-1-benzofuran-2-carboxamide (CID 7204931) is 3-benzamido-N-(3,4-difluorophenyl)-1-benzofuran-2-carboxamide.
What is the SMILES notation for 3-benzamido-N-(3,4-difluorophenyl)-1-benzofuran-2-carboxamide?
The canonical SMILES for 3-benzamido-N-(3,4-difluorophenyl)-1-benzofuran-2-carboxamide is O=C(Nc1c(C(=O)Nc2ccc(F)c(F)c2)oc2ccccc12)c1ccccc1.
What is the InChIKey of 3-benzamido-N-(3,4-difluorophenyl)-1-benzofuran-2-carboxamide?
The InChIKey is HUKCRAHRHADLPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14F2N2O3/c23-16-11-10-14(12-17(16)24)25-22(28)20-19(15-8-4-5-9-18(15)29-20)26-21(27)13-6-2-1-3-7-13/h1-12H,(H,25,28)(H,26,27).
What are the key properties of 3-benzamido-N-(3,4-difluorophenyl)-1-benzofuran-2-carboxamide?
3-benzamido-N-(3,4-difluorophenyl)-1-benzofuran-2-carboxamide has a molecular weight of 392.36 g/mol, XLogP of 5.22, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzamido-N-(3,4-difluorophenyl)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 7204931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).