2-chloro-4-fluoro-N-[(2R)-2-methoxy-2-thiophen-3-ylethyl]benzamide

C14H13ClFNO2S — CID 97414427

IUPAC2-chloro-4-fluoro-N-[(2R)-2-methoxy-2-thiophen-3-ylethyl]benzamide
SMILESCO[C@@H](CNC(=O)c1ccc(F)cc1Cl)c1ccsc1
InChIInChI=1S/C14H13ClFNO2S/c1-19-13(9-4-5-20-8-9)7-17-14(18)11-3-2-10(16)6-12(11)15/h2-6,8,13H,7H2,1H3,(H,17,18)/t13-/m0/s1
InChIKeyZASCCAAQNHXDNT-ZDUSSCGKSA-N
MW313.78 g/mol
LogP3.66
Rot. Bonds5

About 2-chloro-4-fluoro-N-[(2R)-2-methoxy-2-thiophen-3-ylethyl]benzamide

2-chloro-4-fluoro-N-[(2R)-2-methoxy-2-thiophen-3-ylethyl]benzamide (PubChem CID 97414427) has the molecular formula C14H13ClFNO2S and a molecular weight of 313.78 g/mol. Its IUPAC name is 2-chloro-4-fluoro-N-[(2R)-2-methoxy-2-thiophen-3-ylethyl]benzamide.

Molecular Properties

Compound Name2-chloro-4-fluoro-N-[(2R)-2-methoxy-2-thiophen-3-ylethyl]benzamide
PubChem CID97414427
Molecular FormulaC14H13ClFNO2S
Molecular Weight313.78 g/mol
Exact Mass313.03
IUPAC Name2-chloro-4-fluoro-N-[(2R)-2-methoxy-2-thiophen-3-ylethyl]benzamide
SMILESCO[C@@H](CNC(=O)c1ccc(F)cc1Cl)c1ccsc1
InChIInChI=1S/C14H13ClFNO2S/c1-19-13(9-4-5-20-8-9)7-17-14(18)11-3-2-10(16)6-12(11)15/h2-6,8,13H,7H2,1H3,(H,17,18)/t13-/m0/s1
InChIKeyZASCCAAQNHXDNT-ZDUSSCGKSA-N
XLogP3.66
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.78
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-fluoro-N-[(2R)-2-methoxy-2-thiophen-3-ylethyl]benzamide?
The IUPAC name of 2-chloro-4-fluoro-N-[(2R)-2-methoxy-2-thiophen-3-ylethyl]benzamide (CID 97414427) is 2-chloro-4-fluoro-N-[(2R)-2-methoxy-2-thiophen-3-ylethyl]benzamide.
What is the SMILES notation for 2-chloro-4-fluoro-N-[(2R)-2-methoxy-2-thiophen-3-ylethyl]benzamide?
The canonical SMILES for 2-chloro-4-fluoro-N-[(2R)-2-methoxy-2-thiophen-3-ylethyl]benzamide is CO[C@@H](CNC(=O)c1ccc(F)cc1Cl)c1ccsc1.
What is the InChIKey of 2-chloro-4-fluoro-N-[(2R)-2-methoxy-2-thiophen-3-ylethyl]benzamide?
The InChIKey is ZASCCAAQNHXDNT-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H13ClFNO2S/c1-19-13(9-4-5-20-8-9)7-17-14(18)11-3-2-10(16)6-12(11)15/h2-6,8,13H,7H2,1H3,(H,17,18)/t13-/m0/s1.
What are the key properties of 2-chloro-4-fluoro-N-[(2R)-2-methoxy-2-thiophen-3-ylethyl]benzamide?
2-chloro-4-fluoro-N-[(2R)-2-methoxy-2-thiophen-3-ylethyl]benzamide has a molecular weight of 313.78 g/mol, XLogP of 3.66, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-fluoro-N-[(2R)-2-methoxy-2-thiophen-3-ylethyl]benzamide is sourced from PubChem (CID 97414427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).