N-[2-(4-chlorophenyl)-1-benzothiophen-3-yl]formamide

C15H10ClNOS — CID 15700626

IUPACN-[2-(4-chlorophenyl)-1-benzothiophen-3-yl]formamide
SMILESO=CNc1c(-c2ccc(Cl)cc2)sc2ccccc12
InChIInChI=1S/C15H10ClNOS/c16-11-7-5-10(6-8-11)15-14(17-9-18)12-3-1-2-4-13(12)19-15/h1-9H,(H,17,18)
InChIKeyXEBAOHBGGBNBKV-UHFFFAOYSA-N
MW287.77 g/mol
LogP4.79
Rot. Bonds3

About N-[2-(4-chlorophenyl)-1-benzothiophen-3-yl]formamide

N-[2-(4-chlorophenyl)-1-benzothiophen-3-yl]formamide (PubChem CID 15700626) has the molecular formula C15H10ClNOS and a molecular weight of 287.77 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)-1-benzothiophen-3-yl]formamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)-1-benzothiophen-3-yl]formamide
PubChem CID15700626
Molecular FormulaC15H10ClNOS
Molecular Weight287.77 g/mol
Exact Mass287.02
IUPAC NameN-[2-(4-chlorophenyl)-1-benzothiophen-3-yl]formamide
SMILESO=CNc1c(-c2ccc(Cl)cc2)sc2ccccc12
InChIInChI=1S/C15H10ClNOS/c16-11-7-5-10(6-8-11)15-14(17-9-18)12-3-1-2-4-13(12)19-15/h1-9H,(H,17,18)
InChIKeyXEBAOHBGGBNBKV-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-[2-(4-chlorophenyl)-1-benzothiophen-3-yl]formamide?
The IUPAC name of N-[2-(4-chlorophenyl)-1-benzothiophen-3-yl]formamide (CID 15700626) is N-[2-(4-chlorophenyl)-1-benzothiophen-3-yl]formamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)-1-benzothiophen-3-yl]formamide?
The canonical SMILES for N-[2-(4-chlorophenyl)-1-benzothiophen-3-yl]formamide is O=CNc1c(-c2ccc(Cl)cc2)sc2ccccc12.
What is the InChIKey of N-[2-(4-chlorophenyl)-1-benzothiophen-3-yl]formamide?
The InChIKey is XEBAOHBGGBNBKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClNOS/c16-11-7-5-10(6-8-11)15-14(17-9-18)12-3-1-2-4-13(12)19-15/h1-9H,(H,17,18).
What are the key properties of N-[2-(4-chlorophenyl)-1-benzothiophen-3-yl]formamide?
N-[2-(4-chlorophenyl)-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-[2-(4-chlorophenyl)-1-benzothiophen-3-yl]formamide is sourced from PubChem (CID 15700626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).