3-[(2-chloro-6-fluorobenzoyl)amino]-N-(2-methoxyphenyl)-1-benzofuran-2-carboxamide

C23H16ClFN2O4 — CID 16814328

IUPAC3-[(2-chloro-6-fluorobenzoyl)amino]-N-(2-methoxyphenyl)-1-benzofuran-2-carboxamide
SMILESCOc1ccccc1NC(=O)c1oc2ccccc2c1NC(=O)c1c(F)cccc1Cl
InChIInChI=1S/C23H16ClFN2O4/c1-30-18-12-5-3-10-16(18)26-23(29)21-20(13-7-2-4-11-17(13)31-21)27-22(28)19-14(24)8-6-9-15(19)25/h2-12H,1H3,(H,26,29)(H,27,28)
InChIKeyBLPAEEPTZXXNLX-UHFFFAOYSA-N
MW438.84 g/mol
LogP5.74
Rot. Bonds5

About 3-[(2-chloro-6-fluorobenzoyl)amino]-N-(2-methoxyphenyl)-1-benzofuran-2-carboxamide

3-[(2-chloro-6-fluorobenzoyl)amino]-N-(2-methoxyphenyl)-1-benzofuran-2-carboxamide (PubChem CID 16814328) has the molecular formula C23H16ClFN2O4 and a molecular weight of 438.84 g/mol. Its IUPAC name is 3-[(2-chloro-6-fluorobenzoyl)amino]-N-(2-methoxyphenyl)-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name3-[(2-chloro-6-fluorobenzoyl)amino]-N-(2-methoxyphenyl)-1-benzofuran-2-carboxamide
PubChem CID16814328
Molecular FormulaC23H16ClFN2O4
Molecular Weight438.84 g/mol
Exact Mass438.08
IUPAC Name3-[(2-chloro-6-fluorobenzoyl)amino]-N-(2-methoxyphenyl)-1-benzofuran-2-carboxamide
SMILESCOc1ccccc1NC(=O)c1oc2ccccc2c1NC(=O)c1c(F)cccc1Cl
InChIInChI=1S/C23H16ClFN2O4/c1-30-18-12-5-3-10-16(18)26-23(29)21-20(13-7-2-4-11-17(13)31-21)27-22(28)19-14(24)8-6-9-15(19)25/h2-12H,1H3,(H,26,29)(H,27,28)
InChIKeyBLPAEEPTZXXNLX-UHFFFAOYSA-N
XLogP5.74
TPSA80.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.84
LogP ≤ 55.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-chloro-6-fluorobenzoyl)amino]-N-(2-methoxyphenyl)-1-benzofuran-2-carboxamide?
The IUPAC name of 3-[(2-chloro-6-fluorobenzoyl)amino]-N-(2-methoxyphenyl)-1-benzofuran-2-carboxamide (CID 16814328) is 3-[(2-chloro-6-fluorobenzoyl)amino]-N-(2-methoxyphenyl)-1-benzofuran-2-carboxamide.
What is the SMILES notation for 3-[(2-chloro-6-fluorobenzoyl)amino]-N-(2-methoxyphenyl)-1-benzofuran-2-carboxamide?
The canonical SMILES for 3-[(2-chloro-6-fluorobenzoyl)amino]-N-(2-methoxyphenyl)-1-benzofuran-2-carboxamide is COc1ccccc1NC(=O)c1oc2ccccc2c1NC(=O)c1c(F)cccc1Cl.
What is the InChIKey of 3-[(2-chloro-6-fluorobenzoyl)amino]-N-(2-methoxyphenyl)-1-benzofuran-2-carboxamide?
The InChIKey is BLPAEEPTZXXNLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16ClFN2O4/c1-30-18-12-5-3-10-16(18)26-23(29)21-20(13-7-2-4-11-17(13)31-21)27-22(28)19-14(24)8-6-9-15(19)25/h2-12H,1H3,(H,26,29)(H,27,28).
What are the key properties of 3-[(2-chloro-6-fluorobenzoyl)amino]-N-(2-methoxyphenyl)-1-benzofuran-2-carboxamide?
3-[(2-chloro-6-fluorobenzoyl)amino]-N-(2-methoxyphenyl)-1-benzofuran-2-carboxamide has a molecular weight of 438.84 g/mol, XLogP of 5.74, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-chloro-6-fluorobenzoyl)amino]-N-(2-methoxyphenyl)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 16814328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).