3-[(2-chlorobenzoyl)amino]-N-(2-fluorophenyl)-1-benzofuran-2-carboxamide

C22H14ClFN2O3 — CID 7116982

IUPAC3-[(2-chlorobenzoyl)amino]-N-(2-fluorophenyl)-1-benzofuran-2-carboxamide
SMILESO=C(Nc1c(C(=O)Nc2ccccc2F)oc2ccccc12)c1ccccc1Cl
InChIInChI=1S/C22H14ClFN2O3/c23-15-9-3-1-7-13(15)21(27)26-19-14-8-2-6-12-18(14)29-20(19)22(28)25-17-11-5-4-10-16(17)24/h1-12H,(H,25,28)(H,26,27)
InChIKeyYRRKSBZLSMOWSS-UHFFFAOYSA-N
MW408.82 g/mol
LogP5.73
Rot. Bonds4

About 3-[(2-chlorobenzoyl)amino]-N-(2-fluorophenyl)-1-benzofuran-2-carboxamide

3-[(2-chlorobenzoyl)amino]-N-(2-fluorophenyl)-1-benzofuran-2-carboxamide (PubChem CID 7116982) has the molecular formula C22H14ClFN2O3 and a molecular weight of 408.82 g/mol. Its IUPAC name is 3-[(2-chlorobenzoyl)amino]-N-(2-fluorophenyl)-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name3-[(2-chlorobenzoyl)amino]-N-(2-fluorophenyl)-1-benzofuran-2-carboxamide
PubChem CID7116982
Molecular FormulaC22H14ClFN2O3
Molecular Weight408.82 g/mol
Exact Mass408.07
IUPAC Name3-[(2-chlorobenzoyl)amino]-N-(2-fluorophenyl)-1-benzofuran-2-carboxamide
SMILESO=C(Nc1c(C(=O)Nc2ccccc2F)oc2ccccc12)c1ccccc1Cl
InChIInChI=1S/C22H14ClFN2O3/c23-15-9-3-1-7-13(15)21(27)26-19-14-8-2-6-12-18(14)29-20(19)22(28)25-17-11-5-4-10-16(17)24/h1-12H,(H,25,28)(H,26,27)
InChIKeyYRRKSBZLSMOWSS-UHFFFAOYSA-N
XLogP5.73
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.82
LogP ≤ 55.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-chlorobenzoyl)amino]-N-(2-fluorophenyl)-1-benzofuran-2-carboxamide?
The IUPAC name of 3-[(2-chlorobenzoyl)amino]-N-(2-fluorophenyl)-1-benzofuran-2-carboxamide (CID 7116982) is 3-[(2-chlorobenzoyl)amino]-N-(2-fluorophenyl)-1-benzofuran-2-carboxamide.
What is the SMILES notation for 3-[(2-chlorobenzoyl)amino]-N-(2-fluorophenyl)-1-benzofuran-2-carboxamide?
The canonical SMILES for 3-[(2-chlorobenzoyl)amino]-N-(2-fluorophenyl)-1-benzofuran-2-carboxamide is O=C(Nc1c(C(=O)Nc2ccccc2F)oc2ccccc12)c1ccccc1Cl.
What is the InChIKey of 3-[(2-chlorobenzoyl)amino]-N-(2-fluorophenyl)-1-benzofuran-2-carboxamide?
The InChIKey is YRRKSBZLSMOWSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14ClFN2O3/c23-15-9-3-1-7-13(15)21(27)26-19-14-8-2-6-12-18(14)29-20(19)22(28)25-17-11-5-4-10-16(17)24/h1-12H,(H,25,28)(H,26,27).
What are the key properties of 3-[(2-chlorobenzoyl)amino]-N-(2-fluorophenyl)-1-benzofuran-2-carboxamide?
3-[(2-chlorobenzoyl)amino]-N-(2-fluorophenyl)-1-benzofuran-2-carboxamide has a molecular weight of 408.82 g/mol, XLogP of 5.73, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-chlorobenzoyl)amino]-N-(2-fluorophenyl)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 7116982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).