2-chloro-N-(3,4-dihydro-2H-thiochromen-4-yl)benzamide

C16H14ClNOS — CID 18193158

IUPAC2-chloro-N-(3,4-dihydro-2H-thiochromen-4-yl)benzamide
SMILESO=C(NC1CCSc2ccccc21)c1ccccc1Cl
InChIInChI=1S/C16H14ClNOS/c17-13-7-3-1-5-11(13)16(19)18-14-9-10-20-15-8-4-2-6-12(14)15/h1-8,14H,9-10H2,(H,18,19)
InChIKeyUDBCRVGFTYBTQA-UHFFFAOYSA-N
MW303.81 g/mol
LogP4.31
Rot. Bonds2

About 2-chloro-N-(3,4-dihydro-2H-thiochromen-4-yl)benzamide

2-chloro-N-(3,4-dihydro-2H-thiochromen-4-yl)benzamide (PubChem CID 18193158) has the molecular formula C16H14ClNOS and a molecular weight of 303.81 g/mol. Its IUPAC name is 2-chloro-N-(3,4-dihydro-2H-thiochromen-4-yl)benzamide.

Molecular Properties

Compound Name2-chloro-N-(3,4-dihydro-2H-thiochromen-4-yl)benzamide
PubChem CID18193158
Molecular FormulaC16H14ClNOS
Molecular Weight303.81 g/mol
Exact Mass303.05
IUPAC Name2-chloro-N-(3,4-dihydro-2H-thiochromen-4-yl)benzamide
SMILESO=C(NC1CCSc2ccccc21)c1ccccc1Cl
InChIInChI=1S/C16H14ClNOS/c17-13-7-3-1-5-11(13)16(19)18-14-9-10-20-15-8-4-2-6-12(14)15/h1-8,14H,9-10H2,(H,18,19)
InChIKeyUDBCRVGFTYBTQA-UHFFFAOYSA-N
XLogP4.31
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.81
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(3,4-dihydro-2H-thiochromen-4-yl)benzamide?
The IUPAC name of 2-chloro-N-(3,4-dihydro-2H-thiochromen-4-yl)benzamide (CID 18193158) is 2-chloro-N-(3,4-dihydro-2H-thiochromen-4-yl)benzamide.
What is the SMILES notation for 2-chloro-N-(3,4-dihydro-2H-thiochromen-4-yl)benzamide?
The canonical SMILES for 2-chloro-N-(3,4-dihydro-2H-thiochromen-4-yl)benzamide is O=C(NC1CCSc2ccccc21)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-(3,4-dihydro-2H-thiochromen-4-yl)benzamide?
The InChIKey is UDBCRVGFTYBTQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClNOS/c17-13-7-3-1-5-11(13)16(19)18-14-9-10-20-15-8-4-2-6-12(14)15/h1-8,14H,9-10H2,(H,18,19).
What are the key properties of 2-chloro-N-(3,4-dihydro-2H-thiochromen-4-yl)benzamide?
2-chloro-N-(3,4-dihydro-2H-thiochromen-4-yl)benzamide has a molecular weight of 303.81 g/mol, XLogP of 4.31, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(3,4-dihydro-2H-thiochromen-4-yl)benzamide is sourced from PubChem (CID 18193158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).