2-chloro-6-fluoro-N-[2-oxo-2-(pyridin-3-ylmethylamino)ethyl]benzamide

C15H13ClFN3O2 — CID 112993068

IUPAC2-chloro-6-fluoro-N-[2-oxo-2-(pyridin-3-ylmethylamino)ethyl]benzamide
SMILESO=C(CNC(=O)c1c(F)cccc1Cl)NCc1cccnc1
InChIInChI=1S/C15H13ClFN3O2/c16-11-4-1-5-12(17)14(11)15(22)20-9-13(21)19-8-10-3-2-6-18-7-10/h1-7H,8-9H2,(H,19,21)(H,20,22)
InChIKeyVRWXHIWFGKMDLK-UHFFFAOYSA-N
MW321.74 g/mol
LogP1.92
Rot. Bonds5

About 2-chloro-6-fluoro-N-[2-oxo-2-(pyridin-3-ylmethylamino)ethyl]benzamide

2-chloro-6-fluoro-N-[2-oxo-2-(pyridin-3-ylmethylamino)ethyl]benzamide (PubChem CID 112993068) has the molecular formula C15H13ClFN3O2 and a molecular weight of 321.74 g/mol. Its IUPAC name is 2-chloro-6-fluoro-N-[2-oxo-2-(pyridin-3-ylmethylamino)ethyl]benzamide.

Molecular Properties

Compound Name2-chloro-6-fluoro-N-[2-oxo-2-(pyridin-3-ylmethylamino)ethyl]benzamide
PubChem CID112993068
Molecular FormulaC15H13ClFN3O2
Molecular Weight321.74 g/mol
Exact Mass321.07
IUPAC Name2-chloro-6-fluoro-N-[2-oxo-2-(pyridin-3-ylmethylamino)ethyl]benzamide
SMILESO=C(CNC(=O)c1c(F)cccc1Cl)NCc1cccnc1
InChIInChI=1S/C15H13ClFN3O2/c16-11-4-1-5-12(17)14(11)15(22)20-9-13(21)19-8-10-3-2-6-18-7-10/h1-7H,8-9H2,(H,19,21)(H,20,22)
InChIKeyVRWXHIWFGKMDLK-UHFFFAOYSA-N
XLogP1.92
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.74
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-6-fluoro-N-(3-pyridin-3-ylpropyl)benzamide
CID 110400269
2-chloro-6-fluoro-N-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]benzamide
CID 112992254
2-(2,3-dichloroanilino)-N-(pyridin-3-ylmethyl)acetamide
CID 108999597
5-chloro-N-(pyridin-3-ylmethyl)naphthalene-1-carboxamide
CID 2995794
2-chloro-6-fluoro-N-[5-(pyridin-3-ylmethylamino)-2-pyridinyl]benzamide
CID 113027789
2-chloro-N-(pyridin-3-ylmethyl)benzamide
CID 669068
2,3,5,6-tetrafluoro-1-N,4-N-bis(pyridin-3-ylmethyl)benzene-1,4-dicarboxamide
CID 1204787
N-[[4-[(2-chloro-6-fluorobenzoyl)amino]phenyl]methyl]pyridine-3-carboxamide
CID 108925692
2-fluoro-N-(pyridin-3-ylmethyl)benzamide
CID 741479
3-(2,6-difluoroanilino)-N-(pyridin-3-ylmethyl)propanamide
CID 109023616
3-(2,6-dichlorophenyl)-N-(pyridin-3-ylmethyl)propanamide
CID 100600054
N-[2-(benzylamino)-2-oxoethyl]-4-chloropyridine-3-carboxamide
CID 81229372

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-fluoro-N-[2-oxo-2-(pyridin-3-ylmethylamino)ethyl]benzamide?
The IUPAC name of 2-chloro-6-fluoro-N-[2-oxo-2-(pyridin-3-ylmethylamino)ethyl]benzamide (CID 112993068) is 2-chloro-6-fluoro-N-[2-oxo-2-(pyridin-3-ylmethylamino)ethyl]benzamide.
What is the SMILES notation for 2-chloro-6-fluoro-N-[2-oxo-2-(pyridin-3-ylmethylamino)ethyl]benzamide?
The canonical SMILES for 2-chloro-6-fluoro-N-[2-oxo-2-(pyridin-3-ylmethylamino)ethyl]benzamide is O=C(CNC(=O)c1c(F)cccc1Cl)NCc1cccnc1.
What is the InChIKey of 2-chloro-6-fluoro-N-[2-oxo-2-(pyridin-3-ylmethylamino)ethyl]benzamide?
The InChIKey is VRWXHIWFGKMDLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClFN3O2/c16-11-4-1-5-12(17)14(11)15(22)20-9-13(21)19-8-10-3-2-6-18-7-10/h1-7H,8-9H2,(H,19,21)(H,20,22).
What are the key properties of 2-chloro-6-fluoro-N-[2-oxo-2-(pyridin-3-ylmethylamino)ethyl]benzamide?
2-chloro-6-fluoro-N-[2-oxo-2-(pyridin-3-ylmethylamino)ethyl]benzamide has a molecular weight of 321.74 g/mol, XLogP of 1.92, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-fluoro-N-[2-oxo-2-(pyridin-3-ylmethylamino)ethyl]benzamide is sourced from PubChem (CID 112993068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).