2-[2-[5-chloro-4-(4-cyano-3-fluorophenyl)thiophen-2-yl]ethyl]benzamide

C20H14ClFN2OS — CID 173122877

IUPAC2-[2-[5-chloro-4-(4-cyano-3-fluorophenyl)thiophen-2-yl]ethyl]benzamide
SMILESN#Cc1ccc(-c2cc(CCc3ccccc3C(N)=O)sc2Cl)cc1F
InChIInChI=1S/C20H14ClFN2OS/c21-19-17(13-5-6-14(11-23)18(22)9-13)10-15(26-19)8-7-12-3-1-2-4-16(12)20(24)25/h1-6,9-10H,7-8H2,(H2,24,25)
InChIKeyAQNLVWJTZCDQED-UHFFFAOYSA-N
MW384.86 g/mol
LogP4.96
Rot. Bonds5

About 2-[2-[5-chloro-4-(4-cyano-3-fluorophenyl)thiophen-2-yl]ethyl]benzamide

2-[2-[5-chloro-4-(4-cyano-3-fluorophenyl)thiophen-2-yl]ethyl]benzamide (PubChem CID 173122877) has the molecular formula C20H14ClFN2OS and a molecular weight of 384.86 g/mol. Its IUPAC name is 2-[2-[5-chloro-4-(4-cyano-3-fluorophenyl)thiophen-2-yl]ethyl]benzamide.

Molecular Properties

Compound Name2-[2-[5-chloro-4-(4-cyano-3-fluorophenyl)thiophen-2-yl]ethyl]benzamide
PubChem CID173122877
Molecular FormulaC20H14ClFN2OS
Molecular Weight384.86 g/mol
Exact Mass384.05
IUPAC Name2-[2-[5-chloro-4-(4-cyano-3-fluorophenyl)thiophen-2-yl]ethyl]benzamide
SMILESN#Cc1ccc(-c2cc(CCc3ccccc3C(N)=O)sc2Cl)cc1F
InChIInChI=1S/C20H14ClFN2OS/c21-19-17(13-5-6-14(11-23)18(22)9-13)10-15(26-19)8-7-12-3-1-2-4-16(12)20(24)25/h1-6,9-10H,7-8H2,(H2,24,25)
InChIKeyAQNLVWJTZCDQED-UHFFFAOYSA-N
XLogP4.96
TPSA66.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.86
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[5-chloro-4-(4-cyano-3-fluorophenyl)thiophen-2-yl]ethyl]benzamide?
The IUPAC name of 2-[2-[5-chloro-4-(4-cyano-3-fluorophenyl)thiophen-2-yl]ethyl]benzamide (CID 173122877) is 2-[2-[5-chloro-4-(4-cyano-3-fluorophenyl)thiophen-2-yl]ethyl]benzamide.
What is the SMILES notation for 2-[2-[5-chloro-4-(4-cyano-3-fluorophenyl)thiophen-2-yl]ethyl]benzamide?
The canonical SMILES for 2-[2-[5-chloro-4-(4-cyano-3-fluorophenyl)thiophen-2-yl]ethyl]benzamide is N#Cc1ccc(-c2cc(CCc3ccccc3C(N)=O)sc2Cl)cc1F.
What is the InChIKey of 2-[2-[5-chloro-4-(4-cyano-3-fluorophenyl)thiophen-2-yl]ethyl]benzamide?
The InChIKey is AQNLVWJTZCDQED-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14ClFN2OS/c21-19-17(13-5-6-14(11-23)18(22)9-13)10-15(26-19)8-7-12-3-1-2-4-16(12)20(24)25/h1-6,9-10H,7-8H2,(H2,24,25).
What are the key properties of 2-[2-[5-chloro-4-(4-cyano-3-fluorophenyl)thiophen-2-yl]ethyl]benzamide?
2-[2-[5-chloro-4-(4-cyano-3-fluorophenyl)thiophen-2-yl]ethyl]benzamide has a molecular weight of 384.86 g/mol, XLogP of 4.96, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[5-chloro-4-(4-cyano-3-fluorophenyl)thiophen-2-yl]ethyl]benzamide is sourced from PubChem (CID 173122877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).