3-(3-chloropropanoylamino)-N-(2-fluorophenyl)-1-benzofuran-2-carboxamide

C18H14ClFN2O3 — CID 7159781

IUPAC3-(3-chloropropanoylamino)-N-(2-fluorophenyl)-1-benzofuran-2-carboxamide
SMILESO=C(CCCl)Nc1c(C(=O)Nc2ccccc2F)oc2ccccc12
InChIInChI=1S/C18H14ClFN2O3/c19-10-9-15(23)22-16-11-5-1-4-8-14(11)25-17(16)18(24)21-13-7-3-2-6-12(13)20/h1-8H,9-10H2,(H,21,24)(H,22,23)
InChIKeyVAWHNAXDJDAABI-UHFFFAOYSA-N
MW360.77 g/mol
LogP4.39
Rot. Bonds5

About 3-(3-chloropropanoylamino)-N-(2-fluorophenyl)-1-benzofuran-2-carboxamide

3-(3-chloropropanoylamino)-N-(2-fluorophenyl)-1-benzofuran-2-carboxamide (PubChem CID 7159781) has the molecular formula C18H14ClFN2O3 and a molecular weight of 360.77 g/mol. Its IUPAC name is 3-(3-chloropropanoylamino)-N-(2-fluorophenyl)-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name3-(3-chloropropanoylamino)-N-(2-fluorophenyl)-1-benzofuran-2-carboxamide
PubChem CID7159781
Molecular FormulaC18H14ClFN2O3
Molecular Weight360.77 g/mol
Exact Mass360.07
IUPAC Name3-(3-chloropropanoylamino)-N-(2-fluorophenyl)-1-benzofuran-2-carboxamide
SMILESO=C(CCCl)Nc1c(C(=O)Nc2ccccc2F)oc2ccccc12
InChIInChI=1S/C18H14ClFN2O3/c19-10-9-15(23)22-16-11-5-1-4-8-14(11)25-17(16)18(24)21-13-7-3-2-6-12(13)20/h1-8H,9-10H2,(H,21,24)(H,22,23)
InChIKeyVAWHNAXDJDAABI-UHFFFAOYSA-N
XLogP4.39
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.77
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(3-chloropropanoylamino)-N-(3,4-difluorophenyl)-1-benzofuran-2-carboxamide
CID 7501910
N-(2-fluorophenyl)-3-(3-methylbutanoylamino)-1-benzofuran-2-carboxamide
CID 7116978
3-[[2-(4-fluorophenoxy)acetyl]amino]-N-(2-fluorophenyl)-1-benzofuran-2-carboxamide
CID 20875244
3-[(2,2-diphenylacetyl)amino]-N-(2-fluorophenyl)-1-benzofuran-2-carboxamide
CID 16814504
N-(2-fluorophenyl)-3-[[2-(3-methylphenoxy)acetyl]amino]-1-benzofuran-2-carboxamide
CID 7152285
3-(butanoylamino)-N-(4-fluorophenyl)-1-benzofuran-2-carboxamide
CID 7117000
N-(2-fluorophenyl)butanamide
CID 849021
3-[(2-chloro-6-fluorobenzoyl)amino]-N-phenyl-1-benzofuran-2-carboxamide
CID 7159647
3-(butanoylamino)-N-(4-nitrophenyl)-1-benzofuran-2-carboxamide
CID 7160085
N-(3,4-difluorophenyl)-3-(3,3-dimethylbutanoylamino)-1-benzofuran-2-carboxamide
CID 7501898
3-(cyclohexylsulfanylmethyl)-N-(2-fluorophenyl)-1-benzofuran-2-carboxamide
CID 3962971
N-(3-chloro-4-fluorophenyl)-3-[(2-ethoxyacetyl)amino]-1-benzofuran-2-carboxamide
CID 7200193

Frequently Asked Questions

What is the IUPAC name of 3-(3-chloropropanoylamino)-N-(2-fluorophenyl)-1-benzofuran-2-carboxamide?
The IUPAC name of 3-(3-chloropropanoylamino)-N-(2-fluorophenyl)-1-benzofuran-2-carboxamide (CID 7159781) is 3-(3-chloropropanoylamino)-N-(2-fluorophenyl)-1-benzofuran-2-carboxamide.
What is the SMILES notation for 3-(3-chloropropanoylamino)-N-(2-fluorophenyl)-1-benzofuran-2-carboxamide?
The canonical SMILES for 3-(3-chloropropanoylamino)-N-(2-fluorophenyl)-1-benzofuran-2-carboxamide is O=C(CCCl)Nc1c(C(=O)Nc2ccccc2F)oc2ccccc12.
What is the InChIKey of 3-(3-chloropropanoylamino)-N-(2-fluorophenyl)-1-benzofuran-2-carboxamide?
The InChIKey is VAWHNAXDJDAABI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClFN2O3/c19-10-9-15(23)22-16-11-5-1-4-8-14(11)25-17(16)18(24)21-13-7-3-2-6-12(13)20/h1-8H,9-10H2,(H,21,24)(H,22,23).
What are the key properties of 3-(3-chloropropanoylamino)-N-(2-fluorophenyl)-1-benzofuran-2-carboxamide?
3-(3-chloropropanoylamino)-N-(2-fluorophenyl)-1-benzofuran-2-carboxamide has a molecular weight of 360.77 g/mol, XLogP of 4.39, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloropropanoylamino)-N-(2-fluorophenyl)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 7159781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).