2-chloro-4-fluoro-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]benzamide

C17H12ClFN2OS — CID 91630184

IUPAC2-chloro-4-fluoro-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]benzamide
SMILESO=C(NCc1cccnc1-c1ccsc1)c1ccc(F)cc1Cl
InChIInChI=1S/C17H12ClFN2OS/c18-15-8-13(19)3-4-14(15)17(22)21-9-11-2-1-6-20-16(11)12-5-7-23-10-12/h1-8,10H,9H2,(H,21,22)
InChIKeyZJWKDDCQAGCEMI-UHFFFAOYSA-N
MW346.81 g/mol
LogP4.53
Rot. Bonds4

About 2-chloro-4-fluoro-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]benzamide

2-chloro-4-fluoro-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]benzamide (PubChem CID 91630184) has the molecular formula C17H12ClFN2OS and a molecular weight of 346.81 g/mol. Its IUPAC name is 2-chloro-4-fluoro-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]benzamide.

Molecular Properties

Compound Name2-chloro-4-fluoro-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]benzamide
PubChem CID91630184
Molecular FormulaC17H12ClFN2OS
Molecular Weight346.81 g/mol
Exact Mass346.03
IUPAC Name2-chloro-4-fluoro-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]benzamide
SMILESO=C(NCc1cccnc1-c1ccsc1)c1ccc(F)cc1Cl
InChIInChI=1S/C17H12ClFN2OS/c18-15-8-13(19)3-4-14(15)17(22)21-9-11-2-1-6-20-16(11)12-5-7-23-10-12/h1-8,10H,9H2,(H,21,22)
InChIKeyZJWKDDCQAGCEMI-UHFFFAOYSA-N
XLogP4.53
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.81
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-fluoro-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]benzamide?
The IUPAC name of 2-chloro-4-fluoro-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]benzamide (CID 91630184) is 2-chloro-4-fluoro-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]benzamide.
What is the SMILES notation for 2-chloro-4-fluoro-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]benzamide?
The canonical SMILES for 2-chloro-4-fluoro-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]benzamide is O=C(NCc1cccnc1-c1ccsc1)c1ccc(F)cc1Cl.
What is the InChIKey of 2-chloro-4-fluoro-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]benzamide?
The InChIKey is ZJWKDDCQAGCEMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClFN2OS/c18-15-8-13(19)3-4-14(15)17(22)21-9-11-2-1-6-20-16(11)12-5-7-23-10-12/h1-8,10H,9H2,(H,21,22).
What are the key properties of 2-chloro-4-fluoro-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]benzamide?
2-chloro-4-fluoro-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]benzamide has a molecular weight of 346.81 g/mol, XLogP of 4.53, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-fluoro-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]benzamide is sourced from PubChem (CID 91630184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).