3-[(2,4-dichlorobenzoyl)amino]-N-(2-fluorophenyl)-1-benzofuran-2-carboxamide

C22H13Cl2FN2O3 — CID 16814476

IUPAC3-[(2,4-dichlorobenzoyl)amino]-N-(2-fluorophenyl)-1-benzofuran-2-carboxamide
SMILESO=C(Nc1c(C(=O)Nc2ccccc2F)oc2ccccc12)c1ccc(Cl)cc1Cl
InChIInChI=1S/C22H13Cl2FN2O3/c23-12-9-10-13(15(24)11-12)21(28)27-19-14-5-1-4-8-18(14)30-20(19)22(29)26-17-7-3-2-6-16(17)25/h1-11H,(H,26,29)(H,27,28)
InChIKeyOTSXPPHYTDLGPN-UHFFFAOYSA-N
MW443.26 g/mol
LogP6.38
Rot. Bonds4

About 3-[(2,4-dichlorobenzoyl)amino]-N-(2-fluorophenyl)-1-benzofuran-2-carboxamide

3-[(2,4-dichlorobenzoyl)amino]-N-(2-fluorophenyl)-1-benzofuran-2-carboxamide (PubChem CID 16814476) has the molecular formula C22H13Cl2FN2O3 and a molecular weight of 443.26 g/mol. Its IUPAC name is 3-[(2,4-dichlorobenzoyl)amino]-N-(2-fluorophenyl)-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name3-[(2,4-dichlorobenzoyl)amino]-N-(2-fluorophenyl)-1-benzofuran-2-carboxamide
PubChem CID16814476
Molecular FormulaC22H13Cl2FN2O3
Molecular Weight443.26 g/mol
Exact Mass442.03
IUPAC Name3-[(2,4-dichlorobenzoyl)amino]-N-(2-fluorophenyl)-1-benzofuran-2-carboxamide
SMILESO=C(Nc1c(C(=O)Nc2ccccc2F)oc2ccccc12)c1ccc(Cl)cc1Cl
InChIInChI=1S/C22H13Cl2FN2O3/c23-12-9-10-13(15(24)11-12)21(28)27-19-14-5-1-4-8-18(14)30-20(19)22(29)26-17-7-3-2-6-16(17)25/h1-11H,(H,26,29)(H,27,28)
InChIKeyOTSXPPHYTDLGPN-UHFFFAOYSA-N
XLogP6.38
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.26
LogP ≤ 56.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(2,4-dichlorobenzoyl)amino]-N-(2-fluorophenyl)-1-benzofuran-2-carboxamide?
The IUPAC name of 3-[(2,4-dichlorobenzoyl)amino]-N-(2-fluorophenyl)-1-benzofuran-2-carboxamide (CID 16814476) is 3-[(2,4-dichlorobenzoyl)amino]-N-(2-fluorophenyl)-1-benzofuran-2-carboxamide.
What is the SMILES notation for 3-[(2,4-dichlorobenzoyl)amino]-N-(2-fluorophenyl)-1-benzofuran-2-carboxamide?
The canonical SMILES for 3-[(2,4-dichlorobenzoyl)amino]-N-(2-fluorophenyl)-1-benzofuran-2-carboxamide is O=C(Nc1c(C(=O)Nc2ccccc2F)oc2ccccc12)c1ccc(Cl)cc1Cl.
What is the InChIKey of 3-[(2,4-dichlorobenzoyl)amino]-N-(2-fluorophenyl)-1-benzofuran-2-carboxamide?
The InChIKey is OTSXPPHYTDLGPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H13Cl2FN2O3/c23-12-9-10-13(15(24)11-12)21(28)27-19-14-5-1-4-8-18(14)30-20(19)22(29)26-17-7-3-2-6-16(17)25/h1-11H,(H,26,29)(H,27,28).
What are the key properties of 3-[(2,4-dichlorobenzoyl)amino]-N-(2-fluorophenyl)-1-benzofuran-2-carboxamide?
3-[(2,4-dichlorobenzoyl)amino]-N-(2-fluorophenyl)-1-benzofuran-2-carboxamide has a molecular weight of 443.26 g/mol, XLogP of 6.38, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,4-dichlorobenzoyl)amino]-N-(2-fluorophenyl)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 16814476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).