2-chloro-6-fluoro-N-[6-[2-(4-fluorophenyl)ethylamino]-3-pyridinyl]benzamide

C20H16ClF2N3O — CID 113013311

IUPAC2-chloro-6-fluoro-N-[6-[2-(4-fluorophenyl)ethylamino]-3-pyridinyl]benzamide
SMILESO=C(Nc1ccc(NCCc2ccc(F)cc2)nc1)c1c(F)cccc1Cl
InChIInChI=1S/C20H16ClF2N3O/c21-16-2-1-3-17(23)19(16)20(27)26-15-8-9-18(25-12-15)24-11-10-13-4-6-14(22)7-5-13/h1-9,12H,10-11H2,(H,24,25)(H,26,27)
InChIKeyFRALSGATVDTWQG-UHFFFAOYSA-N
MW387.82 g/mol
LogP4.92
Rot. Bonds6

About 2-chloro-6-fluoro-N-[6-[2-(4-fluorophenyl)ethylamino]-3-pyridinyl]benzamide

2-chloro-6-fluoro-N-[6-[2-(4-fluorophenyl)ethylamino]-3-pyridinyl]benzamide (PubChem CID 113013311) has the molecular formula C20H16ClF2N3O and a molecular weight of 387.82 g/mol. Its IUPAC name is 2-chloro-6-fluoro-N-[6-[2-(4-fluorophenyl)ethylamino]-3-pyridinyl]benzamide.

Molecular Properties

Compound Name2-chloro-6-fluoro-N-[6-[2-(4-fluorophenyl)ethylamino]-3-pyridinyl]benzamide
PubChem CID113013311
Molecular FormulaC20H16ClF2N3O
Molecular Weight387.82 g/mol
Exact Mass387.09
IUPAC Name2-chloro-6-fluoro-N-[6-[2-(4-fluorophenyl)ethylamino]-3-pyridinyl]benzamide
SMILESO=C(Nc1ccc(NCCc2ccc(F)cc2)nc1)c1c(F)cccc1Cl
InChIInChI=1S/C20H16ClF2N3O/c21-16-2-1-3-17(23)19(16)20(27)26-15-8-9-18(25-12-15)24-11-10-13-4-6-14(22)7-5-13/h1-9,12H,10-11H2,(H,24,25)(H,26,27)
InChIKeyFRALSGATVDTWQG-UHFFFAOYSA-N
XLogP4.92
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.82
LogP ≤ 54.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-6-fluoro-N-[6-[2-(3-methoxyphenyl)ethylamino]-3-pyridinyl]benzamide
CID 113013450
2-chloro-6-fluoro-N-[6-[(4-methylphenyl)methylamino]-3-pyridinyl]benzamide
CID 113011791
N-(4-fluorophenyl)-5-[2-(4-fluorophenyl)ethylamino]pyrazine-2-carboxamide
CID 109284544
2-chloro-6-fluoro-N-[6-(oxolan-2-ylmethylamino)-3-pyridinyl]benzamide
CID 113010626
2-chloro-6-fluoro-N-[6-(4-propan-2-ylanilino)-3-pyridinyl]benzamide
CID 113017839
2-chloro-6-fluoro-N-[5-(pyridin-3-ylmethylamino)-2-pyridinyl]benzamide
CID 113027789
N-(2,6-difluorophenyl)-5-[2-(4-fluorophenyl)ethylamino]pyrazine-2-carboxamide
CID 109284584
N-(5-anilino-2-pyridinyl)-2-chloro-6-fluorobenzamide
CID 113031217
N-[4-(aminomethyl)phenyl]-2-chloro-6-fluorobenzamide
CID 28754405
2-chloro-6-fluoro-N-[6-(1-phenylethylamino)-3-pyridinyl]benzamide
CID 113011893
2,6-dichloro-N-[2-(4-fluorophenyl)ethyl]benzamide
CID 1122033
N-(4-fluorophenyl)-5-(2-phenylethylamino)pyrazine-2-carboxamide
CID 109283961

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-fluoro-N-[6-[2-(4-fluorophenyl)ethylamino]-3-pyridinyl]benzamide?
The IUPAC name of 2-chloro-6-fluoro-N-[6-[2-(4-fluorophenyl)ethylamino]-3-pyridinyl]benzamide (CID 113013311) is 2-chloro-6-fluoro-N-[6-[2-(4-fluorophenyl)ethylamino]-3-pyridinyl]benzamide.
What is the SMILES notation for 2-chloro-6-fluoro-N-[6-[2-(4-fluorophenyl)ethylamino]-3-pyridinyl]benzamide?
The canonical SMILES for 2-chloro-6-fluoro-N-[6-[2-(4-fluorophenyl)ethylamino]-3-pyridinyl]benzamide is O=C(Nc1ccc(NCCc2ccc(F)cc2)nc1)c1c(F)cccc1Cl.
What is the InChIKey of 2-chloro-6-fluoro-N-[6-[2-(4-fluorophenyl)ethylamino]-3-pyridinyl]benzamide?
The InChIKey is FRALSGATVDTWQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClF2N3O/c21-16-2-1-3-17(23)19(16)20(27)26-15-8-9-18(25-12-15)24-11-10-13-4-6-14(22)7-5-13/h1-9,12H,10-11H2,(H,24,25)(H,26,27).
What are the key properties of 2-chloro-6-fluoro-N-[6-[2-(4-fluorophenyl)ethylamino]-3-pyridinyl]benzamide?
2-chloro-6-fluoro-N-[6-[2-(4-fluorophenyl)ethylamino]-3-pyridinyl]benzamide has a molecular weight of 387.82 g/mol, XLogP of 4.92, 6 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-[6-[2-(4-fluorophenyl)ethylamino]-3-pyridinyl]benzamide is sourced from PubChem (CID 113013311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).