4-fluoro-N-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)benzamide

C15H14FNOS — CID 703968

IUPAC4-fluoro-N-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)benzamide
SMILESO=C(Nc1cc2c(s1)CCCC2)c1ccc(F)cc1
InChIInChI=1S/C15H14FNOS/c16-12-7-5-10(6-8-12)15(18)17-14-9-11-3-1-2-4-13(11)19-14/h5-9H,1-4H2,(H,17,18)
InChIKeyCVSZXVXNLSRLDN-UHFFFAOYSA-N
MW275.35 g/mol
LogP4.02
Rot. Bonds2

About 4-fluoro-N-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)benzamide

4-fluoro-N-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)benzamide (PubChem CID 703968) has the molecular formula C15H14FNOS and a molecular weight of 275.35 g/mol. Its IUPAC name is 4-fluoro-N-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)benzamide.

Molecular Properties

Compound Name4-fluoro-N-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)benzamide
PubChem CID703968
Molecular FormulaC15H14FNOS
Molecular Weight275.35 g/mol
Exact Mass275.08
IUPAC Name4-fluoro-N-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)benzamide
SMILESO=C(Nc1cc2c(s1)CCCC2)c1ccc(F)cc1
InChIInChI=1S/C15H14FNOS/c16-12-7-5-10(6-8-12)15(18)17-14-9-11-3-1-2-4-13(11)19-14/h5-9H,1-4H2,(H,17,18)
InChIKeyCVSZXVXNLSRLDN-UHFFFAOYSA-N
XLogP4.02
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)benzamide?
The IUPAC name of 4-fluoro-N-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)benzamide (CID 703968) is 4-fluoro-N-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)benzamide.
What is the SMILES notation for 4-fluoro-N-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)benzamide?
The canonical SMILES for 4-fluoro-N-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)benzamide is O=C(Nc1cc2c(s1)CCCC2)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)benzamide?
The InChIKey is CVSZXVXNLSRLDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FNOS/c16-12-7-5-10(6-8-12)15(18)17-14-9-11-3-1-2-4-13(11)19-14/h5-9H,1-4H2,(H,17,18).
What are the key properties of 4-fluoro-N-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)benzamide?
4-fluoro-N-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)benzamide has a molecular weight of 275.35 g/mol, XLogP of 4.02, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)benzamide is sourced from PubChem (CID 703968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).