7-chloro-2-[(2,4-difluorobenzoyl)amino]-6-hydroxy-1-benzothiophene-3-carboxamide

C16H9ClF2N2O3S — CID 11269070

IUPAC7-chloro-2-[(2,4-difluorobenzoyl)amino]-6-hydroxy-1-benzothiophene-3-carboxamide
SMILESNC(=O)c1c(NC(=O)c2ccc(F)cc2F)sc2c(Cl)c(O)ccc12
InChIInChI=1S/C16H9ClF2N2O3S/c17-12-10(22)4-3-8-11(14(20)23)16(25-13(8)12)21-15(24)7-2-1-6(18)5-9(7)19/h1-5,22H,(H2,20,23)(H,21,24)
InChIKeyHCXQRWIWDYKRMP-UHFFFAOYSA-N
MW382.78 g/mol
LogP3.89
Rot. Bonds3

About 7-chloro-2-[(2,4-difluorobenzoyl)amino]-6-hydroxy-1-benzothiophene-3-carboxamide

7-chloro-2-[(2,4-difluorobenzoyl)amino]-6-hydroxy-1-benzothiophene-3-carboxamide (PubChem CID 11269070) has the molecular formula C16H9ClF2N2O3S and a molecular weight of 382.78 g/mol. Its IUPAC name is 7-chloro-2-[(2,4-difluorobenzoyl)amino]-6-hydroxy-1-benzothiophene-3-carboxamide.

Molecular Properties

Compound Name7-chloro-2-[(2,4-difluorobenzoyl)amino]-6-hydroxy-1-benzothiophene-3-carboxamide
PubChem CID11269070
Molecular FormulaC16H9ClF2N2O3S
Molecular Weight382.78 g/mol
Exact Mass382.00
IUPAC Name7-chloro-2-[(2,4-difluorobenzoyl)amino]-6-hydroxy-1-benzothiophene-3-carboxamide
SMILESNC(=O)c1c(NC(=O)c2ccc(F)cc2F)sc2c(Cl)c(O)ccc12
InChIInChI=1S/C16H9ClF2N2O3S/c17-12-10(22)4-3-8-11(14(20)23)16(25-13(8)12)21-15(24)7-2-1-6(18)5-9(7)19/h1-5,22H,(H2,20,23)(H,21,24)
InChIKeyHCXQRWIWDYKRMP-UHFFFAOYSA-N
XLogP3.89
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.78
LogP ≤ 53.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-2-[(2,4-difluorobenzoyl)amino]-6-hydroxy-1-benzothiophene-3-carboxamide?
The IUPAC name of 7-chloro-2-[(2,4-difluorobenzoyl)amino]-6-hydroxy-1-benzothiophene-3-carboxamide (CID 11269070) is 7-chloro-2-[(2,4-difluorobenzoyl)amino]-6-hydroxy-1-benzothiophene-3-carboxamide.
What is the SMILES notation for 7-chloro-2-[(2,4-difluorobenzoyl)amino]-6-hydroxy-1-benzothiophene-3-carboxamide?
The canonical SMILES for 7-chloro-2-[(2,4-difluorobenzoyl)amino]-6-hydroxy-1-benzothiophene-3-carboxamide is NC(=O)c1c(NC(=O)c2ccc(F)cc2F)sc2c(Cl)c(O)ccc12.
What is the InChIKey of 7-chloro-2-[(2,4-difluorobenzoyl)amino]-6-hydroxy-1-benzothiophene-3-carboxamide?
The InChIKey is HCXQRWIWDYKRMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9ClF2N2O3S/c17-12-10(22)4-3-8-11(14(20)23)16(25-13(8)12)21-15(24)7-2-1-6(18)5-9(7)19/h1-5,22H,(H2,20,23)(H,21,24).
What are the key properties of 7-chloro-2-[(2,4-difluorobenzoyl)amino]-6-hydroxy-1-benzothiophene-3-carboxamide?
7-chloro-2-[(2,4-difluorobenzoyl)amino]-6-hydroxy-1-benzothiophene-3-carboxamide has a molecular weight of 382.78 g/mol, XLogP of 3.89, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2-[(2,4-difluorobenzoyl)amino]-6-hydroxy-1-benzothiophene-3-carboxamide is sourced from PubChem (CID 11269070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).