3,4-dichloro-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]benzamide

C17H12Cl2N2OS — CID 121166236

IUPAC3,4-dichloro-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]benzamide
SMILESO=C(NCc1cccnc1-c1cccs1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C17H12Cl2N2OS/c18-13-6-5-11(9-14(13)19)17(22)21-10-12-3-1-7-20-16(12)15-4-2-8-23-15/h1-9H,10H2,(H,21,22)
InChIKeyKYMLWBLAZRRQEV-UHFFFAOYSA-N
MW363.27 g/mol
LogP5.05
Rot. Bonds4

About 3,4-dichloro-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]benzamide

3,4-dichloro-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]benzamide (PubChem CID 121166236) has the molecular formula C17H12Cl2N2OS and a molecular weight of 363.27 g/mol. Its IUPAC name is 3,4-dichloro-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]benzamide.

Molecular Properties

Compound Name3,4-dichloro-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]benzamide
PubChem CID121166236
Molecular FormulaC17H12Cl2N2OS
Molecular Weight363.27 g/mol
Exact Mass362.00
IUPAC Name3,4-dichloro-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]benzamide
SMILESO=C(NCc1cccnc1-c1cccs1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C17H12Cl2N2OS/c18-13-6-5-11(9-14(13)19)17(22)21-10-12-3-1-7-20-16(12)15-4-2-8-23-15/h1-9H,10H2,(H,21,22)
InChIKeyKYMLWBLAZRRQEV-UHFFFAOYSA-N
XLogP5.05
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.27
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-acetamido-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]benzamide
CID 121166193
3,4-dimethoxy-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]benzamide
CID 121166121
3-methyl-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]benzamide
CID 121166266
3,5-ditert-butyl-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]benzamide
CID 121166153
4-(1,3-thiazol-2-yloxy)-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]benzamide
CID 121166290
5-methyl-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]pyrazine-2-carboxamide
CID 121166239
(E)-3-(2-chlorophenyl)-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]prop-2-enamide
CID 91625800
5-methyl-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]-1,2-oxazole-4-carboxamide
CID 91625820
1-cyclopentyl-3-[(2-thiophen-2-yl-3-pyridinyl)methyl]urea
CID 121166342
3,4-dichloro-N-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]benzamide
CID 90546721
4-propyl-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]thiadiazole-5-carboxamide
CID 121166113
1-[(2-thiophen-2-yl-3-pyridinyl)methyl]-3-[2-(trifluoromethyl)phenyl]urea
CID 91625850

Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]benzamide?
The IUPAC name of 3,4-dichloro-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]benzamide (CID 121166236) is 3,4-dichloro-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]benzamide.
What is the SMILES notation for 3,4-dichloro-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]benzamide?
The canonical SMILES for 3,4-dichloro-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]benzamide is O=C(NCc1cccnc1-c1cccs1)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 3,4-dichloro-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]benzamide?
The InChIKey is KYMLWBLAZRRQEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12Cl2N2OS/c18-13-6-5-11(9-14(13)19)17(22)21-10-12-3-1-7-20-16(12)15-4-2-8-23-15/h1-9H,10H2,(H,21,22).
What are the key properties of 3,4-dichloro-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]benzamide?
3,4-dichloro-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]benzamide has a molecular weight of 363.27 g/mol, XLogP of 5.05, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]benzamide is sourced from PubChem (CID 121166236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).