2,5-dichloro-N-[(2-chlorophenyl)methyl]thiophene-3-carboxamide

C12H8Cl3NOS — CID 17422374

IUPAC2,5-dichloro-N-[(2-chlorophenyl)methyl]thiophene-3-carboxamide
SMILESO=C(NCc1ccccc1Cl)c1cc(Cl)sc1Cl
InChIInChI=1S/C12H8Cl3NOS/c13-9-4-2-1-3-7(9)6-16-12(17)8-5-10(14)18-11(8)15/h1-5H,6H2,(H,16,17)
InChIKeyAJUIFFGDPPLYKZ-UHFFFAOYSA-N
MW320.63 g/mol
LogP4.64
Rot. Bonds3

About 2,5-dichloro-N-[(2-chlorophenyl)methyl]thiophene-3-carboxamide

2,5-dichloro-N-[(2-chlorophenyl)methyl]thiophene-3-carboxamide (PubChem CID 17422374) has the molecular formula C12H8Cl3NOS and a molecular weight of 320.63 g/mol. Its IUPAC name is 2,5-dichloro-N-[(2-chlorophenyl)methyl]thiophene-3-carboxamide.

Molecular Properties

Compound Name2,5-dichloro-N-[(2-chlorophenyl)methyl]thiophene-3-carboxamide
PubChem CID17422374
Molecular FormulaC12H8Cl3NOS
Molecular Weight320.63 g/mol
Exact Mass318.94
IUPAC Name2,5-dichloro-N-[(2-chlorophenyl)methyl]thiophene-3-carboxamide
SMILESO=C(NCc1ccccc1Cl)c1cc(Cl)sc1Cl
InChIInChI=1S/C12H8Cl3NOS/c13-9-4-2-1-3-7(9)6-16-12(17)8-5-10(14)18-11(8)15/h1-5H,6H2,(H,16,17)
InChIKeyAJUIFFGDPPLYKZ-UHFFFAOYSA-N
XLogP4.64
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.63
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,5-dichloro-N-[[2-(phenylmethoxymethyl)phenyl]methyl]thiophene-3-carboxamide
CID 55694446
2,5-dichloro-N-[[4-(phenylmethoxymethyl)phenyl]methyl]thiophene-3-carboxamide
CID 55694329
2-chloro-N-[(2-chlorophenyl)methyl]-5-methylsulfanylbenzamide
CID 26692390
N-[(2-chlorophenyl)methyl]-4-hydroxy-2-methylbenzamide
CID 103863466
2,5-dichloro-N-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]thiophene-3-carboxamide
CID 55718125
2,5-dichloro-N-[2-(hydroxymethyl)phenyl]thiophene-3-carboxamide
CID 103604554
2,5-dichloro-N-(2-hydroxy-2-phenylethyl)thiophene-3-carboxamide
CID 103604584
2,5-dichloro-N-[(2-hydroxy-5-nitrophenyl)methyl]thiophene-3-carboxamide
CID 17415401
N-[(2-chlorophenyl)methyl]-5-methyl-2-(methylamino)benzamide
CID 62510687
N-[(2-chlorophenyl)methyl]-2-(thiophene-2-carbonyl)benzamide
CID 9401366
2-chloro-N-[(2-fluorophenyl)methyl]benzamide
CID 5082380
2-benzamido-N-[(2-chlorophenyl)methyl]benzamide
CID 9400943

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-[(2-chlorophenyl)methyl]thiophene-3-carboxamide?
The IUPAC name of 2,5-dichloro-N-[(2-chlorophenyl)methyl]thiophene-3-carboxamide (CID 17422374) is 2,5-dichloro-N-[(2-chlorophenyl)methyl]thiophene-3-carboxamide.
What is the SMILES notation for 2,5-dichloro-N-[(2-chlorophenyl)methyl]thiophene-3-carboxamide?
The canonical SMILES for 2,5-dichloro-N-[(2-chlorophenyl)methyl]thiophene-3-carboxamide is O=C(NCc1ccccc1Cl)c1cc(Cl)sc1Cl.
What is the InChIKey of 2,5-dichloro-N-[(2-chlorophenyl)methyl]thiophene-3-carboxamide?
The InChIKey is AJUIFFGDPPLYKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8Cl3NOS/c13-9-4-2-1-3-7(9)6-16-12(17)8-5-10(14)18-11(8)15/h1-5H,6H2,(H,16,17).
What are the key properties of 2,5-dichloro-N-[(2-chlorophenyl)methyl]thiophene-3-carboxamide?
2,5-dichloro-N-[(2-chlorophenyl)methyl]thiophene-3-carboxamide has a molecular weight of 320.63 g/mol, XLogP of 4.64, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-[(2-chlorophenyl)methyl]thiophene-3-carboxamide is sourced from PubChem (CID 17422374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).