2-chloro-N-[1-(5-chlorothiophen-2-yl)ethyl]-5-hydroxybenzamide

C13H11Cl2NO2S — CID 106501533

IUPAC2-chloro-N-[1-(5-chlorothiophen-2-yl)ethyl]-5-hydroxybenzamide
SMILESCC(NC(=O)c1cc(O)ccc1Cl)c1ccc(Cl)s1
InChIInChI=1S/C13H11Cl2NO2S/c1-7(11-4-5-12(15)19-11)16-13(18)9-6-8(17)2-3-10(9)14/h2-7,17H,1H3,(H,16,18)
InChIKeyZXOMMOWRKBXSHN-UHFFFAOYSA-N
MW316.21 g/mol
LogP4.25
Rot. Bonds3

About 2-chloro-N-[1-(5-chlorothiophen-2-yl)ethyl]-5-hydroxybenzamide

2-chloro-N-[1-(5-chlorothiophen-2-yl)ethyl]-5-hydroxybenzamide (PubChem CID 106501533) has the molecular formula C13H11Cl2NO2S and a molecular weight of 316.21 g/mol. Its IUPAC name is 2-chloro-N-[1-(5-chlorothiophen-2-yl)ethyl]-5-hydroxybenzamide.

Molecular Properties

Compound Name2-chloro-N-[1-(5-chlorothiophen-2-yl)ethyl]-5-hydroxybenzamide
PubChem CID106501533
Molecular FormulaC13H11Cl2NO2S
Molecular Weight316.21 g/mol
Exact Mass314.99
IUPAC Name2-chloro-N-[1-(5-chlorothiophen-2-yl)ethyl]-5-hydroxybenzamide
SMILESCC(NC(=O)c1cc(O)ccc1Cl)c1ccc(Cl)s1
InChIInChI=1S/C13H11Cl2NO2S/c1-7(11-4-5-12(15)19-11)16-13(18)9-6-8(17)2-3-10(9)14/h2-7,17H,1H3,(H,16,18)
InChIKeyZXOMMOWRKBXSHN-UHFFFAOYSA-N
XLogP4.25
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.21
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-5-hydroxy-N-[1-(5-methylthiophen-2-yl)ethyl]benzamide
CID 106501543
2-amino-5-chloro-N-[1-(5-chlorothiophen-2-yl)ethyl]pyridine-4-carboxamide
CID 114922653
5-chloro-N-[(1S)-1-(5-chlorothiophen-2-yl)ethyl]-2-fluorobenzamide
CID 51938203
5-bromo-N-[1-(5-chlorothiophen-2-yl)ethyl]-2-hydroxybenzamide
CID 107729705
2,4-dibromo-N-[1-(5-chlorothiophen-2-yl)ethyl]benzamide
CID 107951922
2-bromo-4-chloro-N-[1-(5-chlorothiophen-2-yl)ethyl]benzamide
CID 113257289
N-[1-(5-chlorothiophen-2-yl)ethyl]-2,6-dihydroxybenzamide
CID 103749027
N-[1-(5-chlorothiophen-2-yl)ethyl]-2-fluorobenzamide
CID 47168597
2-chloro-N-[1-(2-chlorophenyl)ethyl]-5-hydroxybenzamide
CID 106501562
3-amino-2-chloro-N-[1-(5-chlorothiophen-2-yl)ethyl]benzamide
CID 112575752
N-[(1R)-1-(5-chlorothiophen-2-yl)ethyl]acetamide
CID 131207227
3-bromo-2-chloro-N-[1-(5-chlorothiophen-2-yl)ethyl]benzamide
CID 113362339

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[1-(5-chlorothiophen-2-yl)ethyl]-5-hydroxybenzamide?
The IUPAC name of 2-chloro-N-[1-(5-chlorothiophen-2-yl)ethyl]-5-hydroxybenzamide (CID 106501533) is 2-chloro-N-[1-(5-chlorothiophen-2-yl)ethyl]-5-hydroxybenzamide.
What is the SMILES notation for 2-chloro-N-[1-(5-chlorothiophen-2-yl)ethyl]-5-hydroxybenzamide?
The canonical SMILES for 2-chloro-N-[1-(5-chlorothiophen-2-yl)ethyl]-5-hydroxybenzamide is CC(NC(=O)c1cc(O)ccc1Cl)c1ccc(Cl)s1.
What is the InChIKey of 2-chloro-N-[1-(5-chlorothiophen-2-yl)ethyl]-5-hydroxybenzamide?
The InChIKey is ZXOMMOWRKBXSHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Cl2NO2S/c1-7(11-4-5-12(15)19-11)16-13(18)9-6-8(17)2-3-10(9)14/h2-7,17H,1H3,(H,16,18).
What are the key properties of 2-chloro-N-[1-(5-chlorothiophen-2-yl)ethyl]-5-hydroxybenzamide?
2-chloro-N-[1-(5-chlorothiophen-2-yl)ethyl]-5-hydroxybenzamide has a molecular weight of 316.21 g/mol, XLogP of 4.25, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[1-(5-chlorothiophen-2-yl)ethyl]-5-hydroxybenzamide is sourced from PubChem (CID 106501533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).