2-[(3-chloro-1-benzothiophen-2-yl)methoxy]benzamide

C16H12ClNO2S — CID 39980889

IUPAC2-[(3-chloro-1-benzothiophen-2-yl)methoxy]benzamide
SMILESNC(=O)c1ccccc1OCc1sc2ccccc2c1Cl
InChIInChI=1S/C16H12ClNO2S/c17-15-11-6-2-4-8-13(11)21-14(15)9-20-12-7-3-1-5-10(12)16(18)19/h1-8H,9H2,(H2,18,19)
InChIKeyBONGKPHQERPSAC-UHFFFAOYSA-N
MW317.80 g/mol
LogP4.23
Rot. Bonds4

About 2-[(3-chloro-1-benzothiophen-2-yl)methoxy]benzamide

2-[(3-chloro-1-benzothiophen-2-yl)methoxy]benzamide (PubChem CID 39980889) has the molecular formula C16H12ClNO2S and a molecular weight of 317.80 g/mol. Its IUPAC name is 2-[(3-chloro-1-benzothiophen-2-yl)methoxy]benzamide.

Molecular Properties

Compound Name2-[(3-chloro-1-benzothiophen-2-yl)methoxy]benzamide
PubChem CID39980889
Molecular FormulaC16H12ClNO2S
Molecular Weight317.80 g/mol
Exact Mass317.03
IUPAC Name2-[(3-chloro-1-benzothiophen-2-yl)methoxy]benzamide
SMILESNC(=O)c1ccccc1OCc1sc2ccccc2c1Cl
InChIInChI=1S/C16H12ClNO2S/c17-15-11-6-2-4-8-13(11)21-14(15)9-20-12-7-3-1-5-10(12)16(18)19/h1-8H,9H2,(H2,18,19)
InChIKeyBONGKPHQERPSAC-UHFFFAOYSA-N
XLogP4.23
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.80
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-chloro-1-benzothiophen-2-yl)methoxy]benzamide?
The IUPAC name of 2-[(3-chloro-1-benzothiophen-2-yl)methoxy]benzamide (CID 39980889) is 2-[(3-chloro-1-benzothiophen-2-yl)methoxy]benzamide.
What is the SMILES notation for 2-[(3-chloro-1-benzothiophen-2-yl)methoxy]benzamide?
The canonical SMILES for 2-[(3-chloro-1-benzothiophen-2-yl)methoxy]benzamide is NC(=O)c1ccccc1OCc1sc2ccccc2c1Cl.
What is the InChIKey of 2-[(3-chloro-1-benzothiophen-2-yl)methoxy]benzamide?
The InChIKey is BONGKPHQERPSAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClNO2S/c17-15-11-6-2-4-8-13(11)21-14(15)9-20-12-7-3-1-5-10(12)16(18)19/h1-8H,9H2,(H2,18,19).
What are the key properties of 2-[(3-chloro-1-benzothiophen-2-yl)methoxy]benzamide?
2-[(3-chloro-1-benzothiophen-2-yl)methoxy]benzamide has a molecular weight of 317.80 g/mol, XLogP of 4.23, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chloro-1-benzothiophen-2-yl)methoxy]benzamide is sourced from PubChem (CID 39980889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).