2-chloro-5-fluoro-N-[[2-(4-fluorophenyl)-3-pyridinyl]methyl]benzamide

C19H13ClF2N2O — CID 53148228

IUPAC2-chloro-5-fluoro-N-[[2-(4-fluorophenyl)-3-pyridinyl]methyl]benzamide
SMILESO=C(NCc1cccnc1-c1ccc(F)cc1)c1cc(F)ccc1Cl
InChIInChI=1S/C19H13ClF2N2O/c20-17-8-7-15(22)10-16(17)19(25)24-11-13-2-1-9-23-18(13)12-3-5-14(21)6-4-12/h1-10H,11H2,(H,24,25)
InChIKeyOXNBGIJWJGXNHI-UHFFFAOYSA-N
MW358.78 g/mol
LogP4.61
Rot. Bonds4

About 2-chloro-5-fluoro-N-[[2-(4-fluorophenyl)-3-pyridinyl]methyl]benzamide

2-chloro-5-fluoro-N-[[2-(4-fluorophenyl)-3-pyridinyl]methyl]benzamide (PubChem CID 53148228) has the molecular formula C19H13ClF2N2O and a molecular weight of 358.78 g/mol. Its IUPAC name is 2-chloro-5-fluoro-N-[[2-(4-fluorophenyl)-3-pyridinyl]methyl]benzamide.

Molecular Properties

Compound Name2-chloro-5-fluoro-N-[[2-(4-fluorophenyl)-3-pyridinyl]methyl]benzamide
PubChem CID53148228
Molecular FormulaC19H13ClF2N2O
Molecular Weight358.78 g/mol
Exact Mass358.07
IUPAC Name2-chloro-5-fluoro-N-[[2-(4-fluorophenyl)-3-pyridinyl]methyl]benzamide
SMILESO=C(NCc1cccnc1-c1ccc(F)cc1)c1cc(F)ccc1Cl
InChIInChI=1S/C19H13ClF2N2O/c20-17-8-7-15(22)10-16(17)19(25)24-11-13-2-1-9-23-18(13)12-3-5-14(21)6-4-12/h1-10H,11H2,(H,24,25)
InChIKeyOXNBGIJWJGXNHI-UHFFFAOYSA-N
XLogP4.61
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.78
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[2-(4-fluorophenyl)-3-pyridinyl]methyl]prop-2-enamide
CID 53148242
[2-(4-fluorophenyl)-3-pyridinyl]methanol
CID 22158045
2-chloro-N-[(2-ethoxy-3-pyridinyl)methyl]-4-fluorobenzamide
CID 38537865
2-amino-N-[(3-ethyl-2-pyridinyl)methyl]-5-fluorobenzamide
CID 82741369
2-fluoro-N-[[2-(3-methylphenyl)-3-pyridinyl]methyl]benzamide
CID 53148188
2-[2-(4-fluorophenyl)-3-pyridinyl]ethanol
CID 117001602
N-[(2,5-difluorophenyl)methyl]-2-fluoropyridine-3-carboxamide
CID 107363072
N-[(2-chlorophenyl)methyl]-2-(2,4-difluorophenoxy)pyridine-3-carboxamide
CID 22612146
2-amino-N-[(2,5-difluorophenyl)methyl]pyridine-3-carboxamide
CID 63791914
2-chloro-5-fluoro-N-[(2-methoxy-3-pyridinyl)methyl]pyridine-3-carboxamide
CID 103891873
5-fluoro-2-iodo-N-[[2-(2-methoxyethoxy)-3-pyridinyl]methyl]benzamide
CID 60616344
5-bromo-2-chloro-N-[(2,5-difluorophenyl)methyl]benzamide
CID 63373247

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-fluoro-N-[[2-(4-fluorophenyl)-3-pyridinyl]methyl]benzamide?
The IUPAC name of 2-chloro-5-fluoro-N-[[2-(4-fluorophenyl)-3-pyridinyl]methyl]benzamide (CID 53148228) is 2-chloro-5-fluoro-N-[[2-(4-fluorophenyl)-3-pyridinyl]methyl]benzamide.
What is the SMILES notation for 2-chloro-5-fluoro-N-[[2-(4-fluorophenyl)-3-pyridinyl]methyl]benzamide?
The canonical SMILES for 2-chloro-5-fluoro-N-[[2-(4-fluorophenyl)-3-pyridinyl]methyl]benzamide is O=C(NCc1cccnc1-c1ccc(F)cc1)c1cc(F)ccc1Cl.
What is the InChIKey of 2-chloro-5-fluoro-N-[[2-(4-fluorophenyl)-3-pyridinyl]methyl]benzamide?
The InChIKey is OXNBGIJWJGXNHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13ClF2N2O/c20-17-8-7-15(22)10-16(17)19(25)24-11-13-2-1-9-23-18(13)12-3-5-14(21)6-4-12/h1-10H,11H2,(H,24,25).
What are the key properties of 2-chloro-5-fluoro-N-[[2-(4-fluorophenyl)-3-pyridinyl]methyl]benzamide?
2-chloro-5-fluoro-N-[[2-(4-fluorophenyl)-3-pyridinyl]methyl]benzamide has a molecular weight of 358.78 g/mol, XLogP of 4.61, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-fluoro-N-[[2-(4-fluorophenyl)-3-pyridinyl]methyl]benzamide is sourced from PubChem (CID 53148228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).