4-chloro-N-[2-(thiophene-2-carbonyl)-1-benzofuran-3-yl]benzamide

C20H12ClNO3S — CID 2138486

IUPAC4-chloro-N-[2-(thiophene-2-carbonyl)-1-benzofuran-3-yl]benzamide
SMILESO=C(Nc1c(C(=O)c2cccs2)oc2ccccc12)c1ccc(Cl)cc1
InChIInChI=1S/C20H12ClNO3S/c21-13-9-7-12(8-10-13)20(24)22-17-14-4-1-2-5-15(14)25-19(17)18(23)16-6-3-11-26-16/h1-11H,(H,22,24)
InChIKeyFXIUQEXTASYLGS-UHFFFAOYSA-N
MW381.84 g/mol
LogP5.63
Rot. Bonds4

About 4-chloro-N-[2-(thiophene-2-carbonyl)-1-benzofuran-3-yl]benzamide

4-chloro-N-[2-(thiophene-2-carbonyl)-1-benzofuran-3-yl]benzamide (PubChem CID 2138486) has the molecular formula C20H12ClNO3S and a molecular weight of 381.84 g/mol. Its IUPAC name is 4-chloro-N-[2-(thiophene-2-carbonyl)-1-benzofuran-3-yl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[2-(thiophene-2-carbonyl)-1-benzofuran-3-yl]benzamide
PubChem CID2138486
Molecular FormulaC20H12ClNO3S
Molecular Weight381.84 g/mol
Exact Mass381.02
IUPAC Name4-chloro-N-[2-(thiophene-2-carbonyl)-1-benzofuran-3-yl]benzamide
SMILESO=C(Nc1c(C(=O)c2cccs2)oc2ccccc12)c1ccc(Cl)cc1
InChIInChI=1S/C20H12ClNO3S/c21-13-9-7-12(8-10-13)20(24)22-17-14-4-1-2-5-15(14)25-19(17)18(23)16-6-3-11-26-16/h1-11H,(H,22,24)
InChIKeyFXIUQEXTASYLGS-UHFFFAOYSA-N
XLogP5.63
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.84
LogP ≤ 55.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-methylbenzoyl)-1-benzofuran-3-yl]thiophene-2-carboxamide
CID 4065338
3-[(4-chlorobenzoyl)amino]-1-benzofuran-2-carboxamide
CID 587379
N-[2-(4-chlorobenzoyl)-1-benzofuran-3-yl]-2-methylpropanamide
CID 4067766
N-[2-(4-chlorobenzoyl)-1-benzofuran-3-yl]-2,2-dimethylpropanamide
CID 4067768
N-[2-(4-chlorobenzoyl)-1-benzofuran-3-yl]-2-(4-chlorophenyl)acetamide
CID 19114627
4-chloro-N-[3-(4-chlorobenzoyl)-1-benzofuran-2-yl]benzamide
CID 132602656
[2-[[2-(4-chlorobenzoyl)-1-benzofuran-3-yl]carbamoyl]phenyl] acetate
CID 18883704
N-[2-(3-bromo-4-methoxybenzoyl)-1-benzofuran-3-yl]thiophene-2-carboxamide
CID 19114824
4-chloro-N-[2-(3-chloro-4-ethoxybenzoyl)-1-benzofuran-3-yl]benzamide
CID 18829839
(4-chlorophenyl)-[3-(propan-2-ylamino)-1-benzofuran-2-yl]methanone
CID 110827091
2-[[2-(4-chlorobenzoyl)-1-benzofuran-3-yl]amino]-1-(4-chlorophenyl)ethanone
CID 110825260
N-[2-[(R)-(4-chlorophenyl)-piperidin-1-ylmethyl]-1-benzofuran-3-yl]thiophene-2-carboxamide
CID 92500979

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2-(thiophene-2-carbonyl)-1-benzofuran-3-yl]benzamide?
The IUPAC name of 4-chloro-N-[2-(thiophene-2-carbonyl)-1-benzofuran-3-yl]benzamide (CID 2138486) is 4-chloro-N-[2-(thiophene-2-carbonyl)-1-benzofuran-3-yl]benzamide.
What is the SMILES notation for 4-chloro-N-[2-(thiophene-2-carbonyl)-1-benzofuran-3-yl]benzamide?
The canonical SMILES for 4-chloro-N-[2-(thiophene-2-carbonyl)-1-benzofuran-3-yl]benzamide is O=C(Nc1c(C(=O)c2cccs2)oc2ccccc12)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[2-(thiophene-2-carbonyl)-1-benzofuran-3-yl]benzamide?
The InChIKey is FXIUQEXTASYLGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12ClNO3S/c21-13-9-7-12(8-10-13)20(24)22-17-14-4-1-2-5-15(14)25-19(17)18(23)16-6-3-11-26-16/h1-11H,(H,22,24).
What are the key properties of 4-chloro-N-[2-(thiophene-2-carbonyl)-1-benzofuran-3-yl]benzamide?
4-chloro-N-[2-(thiophene-2-carbonyl)-1-benzofuran-3-yl]benzamide has a molecular weight of 381.84 g/mol, XLogP of 5.63, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[2-(thiophene-2-carbonyl)-1-benzofuran-3-yl]benzamide is sourced from PubChem (CID 2138486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).