2,5-dichloro-N-[2-(hydroxymethyl)phenyl]thiophene-3-carboxamide

C12H9Cl2NO2S — CID 103604554

IUPAC2,5-dichloro-N-[2-(hydroxymethyl)phenyl]thiophene-3-carboxamide
SMILESO=C(Nc1ccccc1CO)c1cc(Cl)sc1Cl
InChIInChI=1S/C12H9Cl2NO2S/c13-10-5-8(11(14)18-10)12(17)15-9-4-2-1-3-7(9)6-16/h1-5,16H,6H2,(H,15,17)
InChIKeyQADQSMBYECXXSA-UHFFFAOYSA-N
MW302.18 g/mol
LogP3.80
Rot. Bonds3

About 2,5-dichloro-N-[2-(hydroxymethyl)phenyl]thiophene-3-carboxamide

2,5-dichloro-N-[2-(hydroxymethyl)phenyl]thiophene-3-carboxamide (PubChem CID 103604554) has the molecular formula C12H9Cl2NO2S and a molecular weight of 302.18 g/mol. Its IUPAC name is 2,5-dichloro-N-[2-(hydroxymethyl)phenyl]thiophene-3-carboxamide.

Molecular Properties

Compound Name2,5-dichloro-N-[2-(hydroxymethyl)phenyl]thiophene-3-carboxamide
PubChem CID103604554
Molecular FormulaC12H9Cl2NO2S
Molecular Weight302.18 g/mol
Exact Mass300.97
IUPAC Name2,5-dichloro-N-[2-(hydroxymethyl)phenyl]thiophene-3-carboxamide
SMILESO=C(Nc1ccccc1CO)c1cc(Cl)sc1Cl
InChIInChI=1S/C12H9Cl2NO2S/c13-10-5-8(11(14)18-10)12(17)15-9-4-2-1-3-7(9)6-16/h1-5,16H,6H2,(H,15,17)
InChIKeyQADQSMBYECXXSA-UHFFFAOYSA-N
XLogP3.80
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.18
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,5-dichloro-N-[2-(hydroxymethyl)phenyl]benzamide
CID 61497828
2,5-dichloro-N-[3-(hydroxymethyl)phenyl]thiophene-3-carboxamide
CID 103605214
2,5-dichloro-N-[(2-chlorophenyl)methyl]thiophene-3-carboxamide
CID 17422374
N-(2-bromo-3-pyridinyl)-2,5-dichlorothiophene-3-carboxamide
CID 103819199
2-hydroxy-N-[2-(hydroxymethyl)phenyl]-5-methylbenzamide
CID 61498041
2,5-dichloro-N-(2,5-difluorophenyl)thiophene-3-carboxamide
CID 51191647
2,3,4-trifluoro-N-[2-(hydroxymethyl)phenyl]benzamide
CID 79749595
3-hydroxy-N-[2-(hydroxymethyl)phenyl]-2-methylbenzamide
CID 82828984
2-chloro-N-[2-(hydroxymethyl)phenyl]-3-nitrobenzamide
CID 115931017
6-chloro-N-[2-(hydroxymethyl)phenyl]pyridine-3-carboxamide
CID 60655184
4,5-dichloro-N-[2-(hydroxymethyl)phenyl]-1-methylpyrrole-2-carboxamide
CID 61497972
2,5-dichloro-N-(4-methyl-2-phenylmethoxyphenyl)thiophene-3-carboxamide
CID 55888940

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-[2-(hydroxymethyl)phenyl]thiophene-3-carboxamide?
The IUPAC name of 2,5-dichloro-N-[2-(hydroxymethyl)phenyl]thiophene-3-carboxamide (CID 103604554) is 2,5-dichloro-N-[2-(hydroxymethyl)phenyl]thiophene-3-carboxamide.
What is the SMILES notation for 2,5-dichloro-N-[2-(hydroxymethyl)phenyl]thiophene-3-carboxamide?
The canonical SMILES for 2,5-dichloro-N-[2-(hydroxymethyl)phenyl]thiophene-3-carboxamide is O=C(Nc1ccccc1CO)c1cc(Cl)sc1Cl.
What is the InChIKey of 2,5-dichloro-N-[2-(hydroxymethyl)phenyl]thiophene-3-carboxamide?
The InChIKey is QADQSMBYECXXSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Cl2NO2S/c13-10-5-8(11(14)18-10)12(17)15-9-4-2-1-3-7(9)6-16/h1-5,16H,6H2,(H,15,17).
What are the key properties of 2,5-dichloro-N-[2-(hydroxymethyl)phenyl]thiophene-3-carboxamide?
2,5-dichloro-N-[2-(hydroxymethyl)phenyl]thiophene-3-carboxamide has a molecular weight of 302.18 g/mol, XLogP of 3.80, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-[2-(hydroxymethyl)phenyl]thiophene-3-carboxamide is sourced from PubChem (CID 103604554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).