N-[2-(4-chlorobenzoyl)-1-benzofuran-3-yl]-2-fluorobenzamide

C22H13ClFNO3 — CID 4548276

IUPACN-[2-(4-chlorobenzoyl)-1-benzofuran-3-yl]-2-fluorobenzamide
SMILESO=C(Nc1c(C(=O)c2ccc(Cl)cc2)oc2ccccc12)c1ccccc1F
InChIInChI=1S/C22H13ClFNO3/c23-14-11-9-13(10-12-14)20(26)21-19(16-6-2-4-8-18(16)28-21)25-22(27)15-5-1-3-7-17(15)24/h1-12H,(H,25,27)
InChIKeyTZCKANKCKSWQEK-UHFFFAOYSA-N
MW393.80 g/mol
LogP5.71
Rot. Bonds4

About N-[2-(4-chlorobenzoyl)-1-benzofuran-3-yl]-2-fluorobenzamide

N-[2-(4-chlorobenzoyl)-1-benzofuran-3-yl]-2-fluorobenzamide (PubChem CID 4548276) has the molecular formula C22H13ClFNO3 and a molecular weight of 393.80 g/mol. Its IUPAC name is N-[2-(4-chlorobenzoyl)-1-benzofuran-3-yl]-2-fluorobenzamide.

Molecular Properties

Compound NameN-[2-(4-chlorobenzoyl)-1-benzofuran-3-yl]-2-fluorobenzamide
PubChem CID4548276
Molecular FormulaC22H13ClFNO3
Molecular Weight393.80 g/mol
Exact Mass393.06
IUPAC NameN-[2-(4-chlorobenzoyl)-1-benzofuran-3-yl]-2-fluorobenzamide
SMILESO=C(Nc1c(C(=O)c2ccc(Cl)cc2)oc2ccccc12)c1ccccc1F
InChIInChI=1S/C22H13ClFNO3/c23-14-11-9-13(10-12-14)20(26)21-19(16-6-2-4-8-18(16)28-21)25-22(27)15-5-1-3-7-17(15)24/h1-12H,(H,25,27)
InChIKeyTZCKANKCKSWQEK-UHFFFAOYSA-N
XLogP5.71
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.80
LogP ≤ 55.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-fluorophenyl)-1-benzofuran-2-carboxamide
CID 725640
N-(2-Benzoyl-3-benzofuranyl)acetamide
CID 616884
3-Amino-N-(4-chlorophenyl)-1-benzofuran-2-carboxamide
CID 1083209
N-(2-Benzoyl-benzofuran-3-yl)-2-(4-methyl-piperazin-1-yl)-acetamide
CID 574801
3-(Acetylamino)-5-chloro-1-benzofuran-2-carboxamide
CID 739882
(3-Amino-1-benzofuran-2-yl)(4-chlorophenyl)methanone
CID 623089
5-(4-Chlorophenyl)-1,3-dihydro-2H-benzofuro[3,2-e]-1,4-diazepin-2-one
CID 628149
N-(2,4-dichlorophenyl)-1-benzofuran-2-carboxamide
CID 773989
N-(3-chloro-4-methylphenyl)-1-benzofuran-2-carboxamide
CID 785460
N-[2-(4-Fluorobenzoyl)-1-benzofuran-3-yl]acetamide
CID 620333
N-[2-(4-methoxybenzoyl)-1-benzofuran-3-yl]acetamide
CID 906598
2-(3,4-diethoxyphenyl)-N-[2-(4-fluorobenzoyl)-1-benzofuran-3-yl]acetamide
CID 1046076

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorobenzoyl)-1-benzofuran-3-yl]-2-fluorobenzamide?
The IUPAC name of N-[2-(4-chlorobenzoyl)-1-benzofuran-3-yl]-2-fluorobenzamide (CID 4548276) is N-[2-(4-chlorobenzoyl)-1-benzofuran-3-yl]-2-fluorobenzamide.
What is the SMILES notation for N-[2-(4-chlorobenzoyl)-1-benzofuran-3-yl]-2-fluorobenzamide?
The canonical SMILES for N-[2-(4-chlorobenzoyl)-1-benzofuran-3-yl]-2-fluorobenzamide is O=C(Nc1c(C(=O)c2ccc(Cl)cc2)oc2ccccc12)c1ccccc1F.
What is the InChIKey of N-[2-(4-chlorobenzoyl)-1-benzofuran-3-yl]-2-fluorobenzamide?
The InChIKey is TZCKANKCKSWQEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H13ClFNO3/c23-14-11-9-13(10-12-14)20(26)21-19(16-6-2-4-8-18(16)28-21)25-22(27)15-5-1-3-7-17(15)24/h1-12H,(H,25,27).
What are the key properties of N-[2-(4-chlorobenzoyl)-1-benzofuran-3-yl]-2-fluorobenzamide?
N-[2-(4-chlorobenzoyl)-1-benzofuran-3-yl]-2-fluorobenzamide has a molecular weight of 393.80 g/mol, XLogP of 5.71, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorobenzoyl)-1-benzofuran-3-yl]-2-fluorobenzamide is sourced from PubChem (CID 4548276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).