3-chloro-N-[3-(thiophen-3-ylmethoxy)phenyl]benzamide

C18H14ClNO2S — CID 174587955

IUPAC3-chloro-N-[3-(thiophen-3-ylmethoxy)phenyl]benzamide
SMILESO=C(Nc1cccc(OCc2ccsc2)c1)c1cccc(Cl)c1
InChIInChI=1S/C18H14ClNO2S/c19-15-4-1-3-14(9-15)18(21)20-16-5-2-6-17(10-16)22-11-13-7-8-23-12-13/h1-10,12H,11H2,(H,20,21)
InChIKeyYCYJTEQJYHVVPE-UHFFFAOYSA-N
MW343.84 g/mol
LogP5.23
Rot. Bonds5

About 3-chloro-N-[3-(thiophen-3-ylmethoxy)phenyl]benzamide

3-chloro-N-[3-(thiophen-3-ylmethoxy)phenyl]benzamide (PubChem CID 174587955) has the molecular formula C18H14ClNO2S and a molecular weight of 343.84 g/mol. Its IUPAC name is 3-chloro-N-[3-(thiophen-3-ylmethoxy)phenyl]benzamide.

Molecular Properties

Compound Name3-chloro-N-[3-(thiophen-3-ylmethoxy)phenyl]benzamide
PubChem CID174587955
Molecular FormulaC18H14ClNO2S
Molecular Weight343.84 g/mol
Exact Mass343.04
IUPAC Name3-chloro-N-[3-(thiophen-3-ylmethoxy)phenyl]benzamide
SMILESO=C(Nc1cccc(OCc2ccsc2)c1)c1cccc(Cl)c1
InChIInChI=1S/C18H14ClNO2S/c19-15-4-1-3-14(9-15)18(21)20-16-5-2-6-17(10-16)22-11-13-7-8-23-12-13/h1-10,12H,11H2,(H,20,21)
InChIKeyYCYJTEQJYHVVPE-UHFFFAOYSA-N
XLogP5.23
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.84
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[3-(thiophen-3-ylmethoxy)phenyl]benzamide?
The IUPAC name of 3-chloro-N-[3-(thiophen-3-ylmethoxy)phenyl]benzamide (CID 174587955) is 3-chloro-N-[3-(thiophen-3-ylmethoxy)phenyl]benzamide.
What is the SMILES notation for 3-chloro-N-[3-(thiophen-3-ylmethoxy)phenyl]benzamide?
The canonical SMILES for 3-chloro-N-[3-(thiophen-3-ylmethoxy)phenyl]benzamide is O=C(Nc1cccc(OCc2ccsc2)c1)c1cccc(Cl)c1.
What is the InChIKey of 3-chloro-N-[3-(thiophen-3-ylmethoxy)phenyl]benzamide?
The InChIKey is YCYJTEQJYHVVPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClNO2S/c19-15-4-1-3-14(9-15)18(21)20-16-5-2-6-17(10-16)22-11-13-7-8-23-12-13/h1-10,12H,11H2,(H,20,21).
What are the key properties of 3-chloro-N-[3-(thiophen-3-ylmethoxy)phenyl]benzamide?
3-chloro-N-[3-(thiophen-3-ylmethoxy)phenyl]benzamide has a molecular weight of 343.84 g/mol, XLogP of 5.23, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[3-(thiophen-3-ylmethoxy)phenyl]benzamide is sourced from PubChem (CID 174587955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).