2-chloro-6-fluoro-N-[6-[2-(3-methoxyphenyl)ethylamino]-3-pyridinyl]benzamide

C21H19ClFN3O2 — CID 113013450

IUPAC2-chloro-6-fluoro-N-[6-[2-(3-methoxyphenyl)ethylamino]-3-pyridinyl]benzamide
SMILESCOc1cccc(CCNc2ccc(NC(=O)c3c(F)cccc3Cl)cn2)c1
InChIInChI=1S/C21H19ClFN3O2/c1-28-16-5-2-4-14(12-16)10-11-24-19-9-8-15(13-25-19)26-21(27)20-17(22)6-3-7-18(20)23/h2-9,12-13H,10-11H2,1H3,(H,24,25)(H,26,27)
InChIKeyLMULJSIKHOJJGO-UHFFFAOYSA-N
MW399.85 g/mol
LogP4.79
Rot. Bonds7

About 2-chloro-6-fluoro-N-[6-[2-(3-methoxyphenyl)ethylamino]-3-pyridinyl]benzamide

2-chloro-6-fluoro-N-[6-[2-(3-methoxyphenyl)ethylamino]-3-pyridinyl]benzamide (PubChem CID 113013450) has the molecular formula C21H19ClFN3O2 and a molecular weight of 399.85 g/mol. Its IUPAC name is 2-chloro-6-fluoro-N-[6-[2-(3-methoxyphenyl)ethylamino]-3-pyridinyl]benzamide.

Molecular Properties

Compound Name2-chloro-6-fluoro-N-[6-[2-(3-methoxyphenyl)ethylamino]-3-pyridinyl]benzamide
PubChem CID113013450
Molecular FormulaC21H19ClFN3O2
Molecular Weight399.85 g/mol
Exact Mass399.11
IUPAC Name2-chloro-6-fluoro-N-[6-[2-(3-methoxyphenyl)ethylamino]-3-pyridinyl]benzamide
SMILESCOc1cccc(CCNc2ccc(NC(=O)c3c(F)cccc3Cl)cn2)c1
InChIInChI=1S/C21H19ClFN3O2/c1-28-16-5-2-4-14(12-16)10-11-24-19-9-8-15(13-25-19)26-21(27)20-17(22)6-3-7-18(20)23/h2-9,12-13H,10-11H2,1H3,(H,24,25)(H,26,27)
InChIKeyLMULJSIKHOJJGO-UHFFFAOYSA-N
XLogP4.79
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.85
LogP ≤ 54.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-6-fluoro-N-[6-[2-(4-fluorophenyl)ethylamino]-3-pyridinyl]benzamide
CID 113013311
4-fluoro-N-[6-[2-(3-methoxyphenyl)ethylamino]-3-pyridinyl]benzamide
CID 113013432
N-(2,6-difluorophenyl)-5-[2-(3-methoxyphenyl)ethylamino]pyridine-2-carboxamide
CID 109192723
N-[6-[2-(3-methoxyphenyl)ethylamino]-3-pyridinyl]-2-methylpropanamide
CID 113013416
N-[5-[2-(3-methoxyphenyl)ethylamino]-2-pyridinyl]cyclopropanecarboxamide
CID 113028392
2-chloro-6-fluoro-N-[6-[(4-methylphenyl)methylamino]-3-pyridinyl]benzamide
CID 113011791
N-[5-[2-(3-methoxyphenyl)ethylamino]-2-pyridinyl]-3,4-dimethylbenzamide
CID 113028411
5-methoxy-N-[2-(3-methoxyphenyl)ethyl]pyridin-2-amine
CID 104861065
5-[2-(3-methoxyphenyl)ethylamino]-N-(3-methylphenyl)pyridine-2-carboxamide
CID 109192679
N-[5-[2-(3-methoxyphenyl)ethylamino]-2-pyridinyl]methanesulfonamide
CID 113028442
N-[6-[2-(3-methoxyphenyl)ethylamino]-3-pyridinyl]oxolane-2-carboxamide
CID 113013421
N-(4-chlorophenyl)-5-[2-(3-methoxyphenyl)ethylamino]pyridine-3-carboxamide
CID 109236816

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-fluoro-N-[6-[2-(3-methoxyphenyl)ethylamino]-3-pyridinyl]benzamide?
The IUPAC name of 2-chloro-6-fluoro-N-[6-[2-(3-methoxyphenyl)ethylamino]-3-pyridinyl]benzamide (CID 113013450) is 2-chloro-6-fluoro-N-[6-[2-(3-methoxyphenyl)ethylamino]-3-pyridinyl]benzamide.
What is the SMILES notation for 2-chloro-6-fluoro-N-[6-[2-(3-methoxyphenyl)ethylamino]-3-pyridinyl]benzamide?
The canonical SMILES for 2-chloro-6-fluoro-N-[6-[2-(3-methoxyphenyl)ethylamino]-3-pyridinyl]benzamide is COc1cccc(CCNc2ccc(NC(=O)c3c(F)cccc3Cl)cn2)c1.
What is the InChIKey of 2-chloro-6-fluoro-N-[6-[2-(3-methoxyphenyl)ethylamino]-3-pyridinyl]benzamide?
The InChIKey is LMULJSIKHOJJGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClFN3O2/c1-28-16-5-2-4-14(12-16)10-11-24-19-9-8-15(13-25-19)26-21(27)20-17(22)6-3-7-18(20)23/h2-9,12-13H,10-11H2,1H3,(H,24,25)(H,26,27).
What are the key properties of 2-chloro-6-fluoro-N-[6-[2-(3-methoxyphenyl)ethylamino]-3-pyridinyl]benzamide?
2-chloro-6-fluoro-N-[6-[2-(3-methoxyphenyl)ethylamino]-3-pyridinyl]benzamide has a molecular weight of 399.85 g/mol, XLogP of 4.79, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-fluoro-N-[6-[2-(3-methoxyphenyl)ethylamino]-3-pyridinyl]benzamide is sourced from PubChem (CID 113013450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).