N-(4-chloro-2-phenyl-1-benzothiophen-3-yl)formamide

C15H10ClNOS — CID 16639844

IUPACN-(4-chloro-2-phenyl-1-benzothiophen-3-yl)formamide
SMILESO=CNc1c(-c2ccccc2)sc2cccc(Cl)c12
InChIInChI=1S/C15H10ClNOS/c16-11-7-4-8-12-13(11)14(17-9-18)15(19-12)10-5-2-1-3-6-10/h1-9H,(H,17,18)
InChIKeyXWLYDIFRJBNISF-UHFFFAOYSA-N
MW287.77 g/mol
LogP4.79
Rot. Bonds3

About N-(4-chloro-2-phenyl-1-benzothiophen-3-yl)formamide

N-(4-chloro-2-phenyl-1-benzothiophen-3-yl)formamide (PubChem CID 16639844) has the molecular formula C15H10ClNOS and a molecular weight of 287.77 g/mol. Its IUPAC name is N-(4-chloro-2-phenyl-1-benzothiophen-3-yl)formamide.

Molecular Properties

Compound NameN-(4-chloro-2-phenyl-1-benzothiophen-3-yl)formamide
PubChem CID16639844
Molecular FormulaC15H10ClNOS
Molecular Weight287.77 g/mol
Exact Mass287.02
IUPAC NameN-(4-chloro-2-phenyl-1-benzothiophen-3-yl)formamide
SMILESO=CNc1c(-c2ccccc2)sc2cccc(Cl)c12
InChIInChI=1S/C15H10ClNOS/c16-11-7-4-8-12-13(11)14(17-9-18)15(19-12)10-5-2-1-3-6-10/h1-9H,(H,17,18)
InChIKeyXWLYDIFRJBNISF-UHFFFAOYSA-N
XLogP4.79
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.77
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-phenyl-1-benzothiophen-3-yl)formamide?
The IUPAC name of N-(4-chloro-2-phenyl-1-benzothiophen-3-yl)formamide (CID 16639844) is N-(4-chloro-2-phenyl-1-benzothiophen-3-yl)formamide.
What is the SMILES notation for N-(4-chloro-2-phenyl-1-benzothiophen-3-yl)formamide?
The canonical SMILES for N-(4-chloro-2-phenyl-1-benzothiophen-3-yl)formamide is O=CNc1c(-c2ccccc2)sc2cccc(Cl)c12.
What is the InChIKey of N-(4-chloro-2-phenyl-1-benzothiophen-3-yl)formamide?
The InChIKey is XWLYDIFRJBNISF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClNOS/c16-11-7-4-8-12-13(11)14(17-9-18)15(19-12)10-5-2-1-3-6-10/h1-9H,(H,17,18).
What are the key properties of N-(4-chloro-2-phenyl-1-benzothiophen-3-yl)formamide?
N-(4-chloro-2-phenyl-1-benzothiophen-3-yl)formamide has a molecular weight of 287.77 g/mol, XLogP of 4.79, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-phenyl-1-benzothiophen-3-yl)formamide is sourced from PubChem (CID 16639844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).