2-chloro-6-fluoro-N-[6-(4-propan-2-ylanilino)-3-pyridinyl]benzamide

C21H19ClFN3O — CID 113017839

IUPAC2-chloro-6-fluoro-N-[6-(4-propan-2-ylanilino)-3-pyridinyl]benzamide
SMILESCC(C)c1ccc(Nc2ccc(NC(=O)c3c(F)cccc3Cl)cn2)cc1
InChIInChI=1S/C21H19ClFN3O/c1-13(2)14-6-8-15(9-7-14)25-19-11-10-16(12-24-19)26-21(27)20-17(22)4-3-5-18(20)23/h3-13H,1-2H3,(H,24,25)(H,26,27)
InChIKeyCZUWVRWLYRIXOS-UHFFFAOYSA-N
MW383.85 g/mol
LogP5.99
Rot. Bonds5

About 2-chloro-6-fluoro-N-[6-(4-propan-2-ylanilino)-3-pyridinyl]benzamide

2-chloro-6-fluoro-N-[6-(4-propan-2-ylanilino)-3-pyridinyl]benzamide (PubChem CID 113017839) has the molecular formula C21H19ClFN3O and a molecular weight of 383.85 g/mol. Its IUPAC name is 2-chloro-6-fluoro-N-[6-(4-propan-2-ylanilino)-3-pyridinyl]benzamide.

Molecular Properties

Compound Name2-chloro-6-fluoro-N-[6-(4-propan-2-ylanilino)-3-pyridinyl]benzamide
PubChem CID113017839
Molecular FormulaC21H19ClFN3O
Molecular Weight383.85 g/mol
Exact Mass383.12
IUPAC Name2-chloro-6-fluoro-N-[6-(4-propan-2-ylanilino)-3-pyridinyl]benzamide
SMILESCC(C)c1ccc(Nc2ccc(NC(=O)c3c(F)cccc3Cl)cn2)cc1
InChIInChI=1S/C21H19ClFN3O/c1-13(2)14-6-8-15(9-7-14)25-19-11-10-16(12-24-19)26-21(27)20-17(22)4-3-5-18(20)23/h3-13H,1-2H3,(H,24,25)(H,26,27)
InChIKeyCZUWVRWLYRIXOS-UHFFFAOYSA-N
XLogP5.99
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.85
LogP ≤ 55.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-6-fluoro-N-[6-(1-phenylethylamino)-3-pyridinyl]benzamide
CID 113011893
N-(5-anilino-2-pyridinyl)-2-chloro-6-fluorobenzamide
CID 113031217
2-chloro-N-[6-(3-cyanoanilino)-3-pyridinyl]-6-fluorobenzamide
CID 113022787
3,4-difluoro-N-[6-(4-propan-2-ylanilino)-3-pyridinyl]benzamide
CID 113017842
2-chloro-6-fluoro-N-[6-[(4-methylphenyl)methylamino]-3-pyridinyl]benzamide
CID 113011791
N-[6-(4-acetamidoanilino)pyridazin-3-yl]-2-chloro-6-fluorobenzamide
CID 113049303
2-chloro-N-[6-(2,6-difluoroanilino)-3-pyridinyl]benzamide
CID 113023141
2-chloro-6-fluoro-N-[6-[2-(4-fluorophenyl)ethylamino]-3-pyridinyl]benzamide
CID 113013311
3-methoxy-N-[6-(4-propan-2-ylanilino)-3-pyridinyl]benzamide
CID 113017819
N-(2-fluorophenyl)-5-(4-propan-2-ylanilino)pyrazine-2-carboxamide
CID 109292042
2-chloro-N-(3,4-dichlorophenyl)-6-fluorobenzamide
CID 26085744
N-[6-(4-acetamidoanilino)-3-pyridinyl]-2-chlorobenzamide
CID 113020563

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-fluoro-N-[6-(4-propan-2-ylanilino)-3-pyridinyl]benzamide?
The IUPAC name of 2-chloro-6-fluoro-N-[6-(4-propan-2-ylanilino)-3-pyridinyl]benzamide (CID 113017839) is 2-chloro-6-fluoro-N-[6-(4-propan-2-ylanilino)-3-pyridinyl]benzamide.
What is the SMILES notation for 2-chloro-6-fluoro-N-[6-(4-propan-2-ylanilino)-3-pyridinyl]benzamide?
The canonical SMILES for 2-chloro-6-fluoro-N-[6-(4-propan-2-ylanilino)-3-pyridinyl]benzamide is CC(C)c1ccc(Nc2ccc(NC(=O)c3c(F)cccc3Cl)cn2)cc1.
What is the InChIKey of 2-chloro-6-fluoro-N-[6-(4-propan-2-ylanilino)-3-pyridinyl]benzamide?
The InChIKey is CZUWVRWLYRIXOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClFN3O/c1-13(2)14-6-8-15(9-7-14)25-19-11-10-16(12-24-19)26-21(27)20-17(22)4-3-5-18(20)23/h3-13H,1-2H3,(H,24,25)(H,26,27).
What are the key properties of 2-chloro-6-fluoro-N-[6-(4-propan-2-ylanilino)-3-pyridinyl]benzamide?
2-chloro-6-fluoro-N-[6-(4-propan-2-ylanilino)-3-pyridinyl]benzamide has a molecular weight of 383.85 g/mol, XLogP of 5.99, 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-[6-(4-propan-2-ylanilino)-3-pyridinyl]benzamide is sourced from PubChem (CID 113017839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).