7-chloro-2-[(3-fluorobenzoyl)amino]-6-hydroxy-1-benzothiophene-3-carboxamide

C16H10ClFN2O3S — CID 69449677

IUPAC7-chloro-2-[(3-fluorobenzoyl)amino]-6-hydroxy-1-benzothiophene-3-carboxamide
SMILESNC(=O)c1c(NC(=O)c2cccc(F)c2)sc2c(Cl)c(O)ccc12
InChIInChI=1S/C16H10ClFN2O3S/c17-12-10(21)5-4-9-11(14(19)22)16(24-13(9)12)20-15(23)7-2-1-3-8(18)6-7/h1-6,21H,(H2,19,22)(H,20,23)
InChIKeyCWMLENLLUXRSLN-UHFFFAOYSA-N
MW364.79 g/mol
LogP3.75
Rot. Bonds3

About 7-chloro-2-[(3-fluorobenzoyl)amino]-6-hydroxy-1-benzothiophene-3-carboxamide

7-chloro-2-[(3-fluorobenzoyl)amino]-6-hydroxy-1-benzothiophene-3-carboxamide (PubChem CID 69449677) has the molecular formula C16H10ClFN2O3S and a molecular weight of 364.79 g/mol. Its IUPAC name is 7-chloro-2-[(3-fluorobenzoyl)amino]-6-hydroxy-1-benzothiophene-3-carboxamide.

Molecular Properties

Compound Name7-chloro-2-[(3-fluorobenzoyl)amino]-6-hydroxy-1-benzothiophene-3-carboxamide
PubChem CID69449677
Molecular FormulaC16H10ClFN2O3S
Molecular Weight364.79 g/mol
Exact Mass364.01
IUPAC Name7-chloro-2-[(3-fluorobenzoyl)amino]-6-hydroxy-1-benzothiophene-3-carboxamide
SMILESNC(=O)c1c(NC(=O)c2cccc(F)c2)sc2c(Cl)c(O)ccc12
InChIInChI=1S/C16H10ClFN2O3S/c17-12-10(21)5-4-9-11(14(19)22)16(24-13(9)12)20-15(23)7-2-1-3-8(18)6-7/h1-6,21H,(H2,19,22)(H,20,23)
InChIKeyCWMLENLLUXRSLN-UHFFFAOYSA-N
XLogP3.75
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.79
LogP ≤ 53.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-benzamido-7-[(dimethylamino)methyl]-6-hydroxy-1-benzothiophene-3-carboxamide
CID 167713872
5,7-dichloro-6-hydroxy-2-[[4-(hydroxymethyl)benzoyl]amino]-1-benzothiophene-3-carboxamide
CID 130406524
1-N,3-N-bis(3-carbamoyl-4,5-dimethylthiophen-2-yl)benzene-1,3-dicarboxamide
CID 4144857
3-fluoro-N-(2-hydroxyphenyl)benzamide
CID 45029698
N-(3,5-dichloro-4-hydroxyphenyl)-3-fluorobenzamide
CID 82885015
dimethyl 5-[(3-fluorobenzoyl)amino]-3-methylthiophene-2,4-dicarboxylate
CID 1221956
N-(5-chloropyrimidin-2-yl)-3-fluorobenzamide
CID 54265719
N-(4-amino-2,6-dichlorophenyl)-3-fluorobenzamide
CID 16776319
4-(3-chlorophenyl)-2-[(3-fluorobenzoyl)amino]thiophene-3-carboxylic acid
CID 25225583
2-acetamido-5,7-dichloro-6-hydroxy-1-benzothiophene-3-carboxamide
CID 118975317
4-(2,4-dichlorophenyl)-2-[(3-fluorobenzoyl)amino]thiophene-3-carboxylic acid
CID 25225581
methyl 5-[(3-fluorobenzoyl)amino]thiadiazole-4-carboxylate
CID 29139793

Frequently Asked Questions

What is the IUPAC name of 7-chloro-2-[(3-fluorobenzoyl)amino]-6-hydroxy-1-benzothiophene-3-carboxamide?
The IUPAC name of 7-chloro-2-[(3-fluorobenzoyl)amino]-6-hydroxy-1-benzothiophene-3-carboxamide (CID 69449677) is 7-chloro-2-[(3-fluorobenzoyl)amino]-6-hydroxy-1-benzothiophene-3-carboxamide.
What is the SMILES notation for 7-chloro-2-[(3-fluorobenzoyl)amino]-6-hydroxy-1-benzothiophene-3-carboxamide?
The canonical SMILES for 7-chloro-2-[(3-fluorobenzoyl)amino]-6-hydroxy-1-benzothiophene-3-carboxamide is NC(=O)c1c(NC(=O)c2cccc(F)c2)sc2c(Cl)c(O)ccc12.
What is the InChIKey of 7-chloro-2-[(3-fluorobenzoyl)amino]-6-hydroxy-1-benzothiophene-3-carboxamide?
The InChIKey is CWMLENLLUXRSLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10ClFN2O3S/c17-12-10(21)5-4-9-11(14(19)22)16(24-13(9)12)20-15(23)7-2-1-3-8(18)6-7/h1-6,21H,(H2,19,22)(H,20,23).
What are the key properties of 7-chloro-2-[(3-fluorobenzoyl)amino]-6-hydroxy-1-benzothiophene-3-carboxamide?
7-chloro-2-[(3-fluorobenzoyl)amino]-6-hydroxy-1-benzothiophene-3-carboxamide has a molecular weight of 364.79 g/mol, XLogP of 3.75, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2-[(3-fluorobenzoyl)amino]-6-hydroxy-1-benzothiophene-3-carboxamide is sourced from PubChem (CID 69449677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).