2-chloro-6-(4-fluoro-2-methylanilino)-N-(6-methoxy-2-methyl-3-pyridinyl)benzamide

C21H19ClFN3O2 — CID 155452610

IUPAC2-chloro-6-(4-fluoro-2-methylanilino)-N-(6-methoxy-2-methyl-3-pyridinyl)benzamide
SMILESCOc1ccc(NC(=O)c2c(Cl)cccc2Nc2ccc(F)cc2C)c(C)n1
InChIInChI=1S/C21H19ClFN3O2/c1-12-11-14(23)7-8-16(12)25-18-6-4-5-15(22)20(18)21(27)26-17-9-10-19(28-3)24-13(17)2/h4-11,25H,1-3H3,(H,26,27)
InChIKeyYQOUUMCRNZTEEV-UHFFFAOYSA-N
MW399.85 g/mol
LogP5.50
Rot. Bonds5

About 2-chloro-6-(4-fluoro-2-methylanilino)-N-(6-methoxy-2-methyl-3-pyridinyl)benzamide

2-chloro-6-(4-fluoro-2-methylanilino)-N-(6-methoxy-2-methyl-3-pyridinyl)benzamide (PubChem CID 155452610) has the molecular formula C21H19ClFN3O2 and a molecular weight of 399.85 g/mol. Its IUPAC name is 2-chloro-6-(4-fluoro-2-methylanilino)-N-(6-methoxy-2-methyl-3-pyridinyl)benzamide.

Molecular Properties

Compound Name2-chloro-6-(4-fluoro-2-methylanilino)-N-(6-methoxy-2-methyl-3-pyridinyl)benzamide
PubChem CID155452610
Molecular FormulaC21H19ClFN3O2
Molecular Weight399.85 g/mol
Exact Mass399.11
IUPAC Name2-chloro-6-(4-fluoro-2-methylanilino)-N-(6-methoxy-2-methyl-3-pyridinyl)benzamide
SMILESCOc1ccc(NC(=O)c2c(Cl)cccc2Nc2ccc(F)cc2C)c(C)n1
InChIInChI=1S/C21H19ClFN3O2/c1-12-11-14(23)7-8-16(12)25-18-6-4-5-15(22)20(18)21(27)26-17-9-10-19(28-3)24-13(17)2/h4-11,25H,1-3H3,(H,26,27)
InChIKeyYQOUUMCRNZTEEV-UHFFFAOYSA-N
XLogP5.50
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.85
LogP ≤ 55.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-chloro-6-methoxy-3-pyridinyl)-2-(4-fluoro-2-methylanilino)-5-(trifluoromethyl)benzamide
CID 155452663
2-(3-fluorophenyl)-N-(6-methoxy-2-methyl-3-pyridinyl)acetamide
CID 71919212
2-(3-chloro-2-methylanilino)-N-(6-methoxy-2-methyl-3-pyridinyl)-5-(trifluoromethyl)pyridine-3-carboxamide
CID 155452506
5-chloro-6-cyano-2-(2-ethyl-4-fluoroanilino)-N-(6-methoxy-2-methyl-3-pyridinyl)pyridine-3-carboxamide
CID 175867565
2-(4-fluoro-2-propan-2-ylanilino)-N-(6-methoxy-2-methyl-3-pyridinyl)-5-(trifluoromethyl)benzamide
CID 155452593
2-fluoro-4-methoxy-N-(6-methoxy-2-methyl-3-pyridinyl)benzamide
CID 71970253
3-(2-chlorophenyl)-N-(4-fluoro-2-methylphenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 2731141
2,6-dichloro-N-(2-methoxyphenyl)benzamide
CID 853872
N-(2-ethyl-6-methoxy-3-pyridinyl)-2-(4-fluoro-2-methylanilino)-4-(trifluoromethoxy)benzamide
CID 155452627
2-(3-chloro-2-methylanilino)-N-(2,4-difluorophenyl)pyrimidine-4-carboxamide
CID 109317062
N-(6-bromo-2-methyl-3-pyridinyl)-4-fluoro-2-methylbenzamide
CID 113349854
2-chloro-6-fluoro-N-(4-iodo-2-methylphenyl)benzamide
CID 47099671

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-(4-fluoro-2-methylanilino)-N-(6-methoxy-2-methyl-3-pyridinyl)benzamide?
The IUPAC name of 2-chloro-6-(4-fluoro-2-methylanilino)-N-(6-methoxy-2-methyl-3-pyridinyl)benzamide (CID 155452610) is 2-chloro-6-(4-fluoro-2-methylanilino)-N-(6-methoxy-2-methyl-3-pyridinyl)benzamide.
What is the SMILES notation for 2-chloro-6-(4-fluoro-2-methylanilino)-N-(6-methoxy-2-methyl-3-pyridinyl)benzamide?
The canonical SMILES for 2-chloro-6-(4-fluoro-2-methylanilino)-N-(6-methoxy-2-methyl-3-pyridinyl)benzamide is COc1ccc(NC(=O)c2c(Cl)cccc2Nc2ccc(F)cc2C)c(C)n1.
What is the InChIKey of 2-chloro-6-(4-fluoro-2-methylanilino)-N-(6-methoxy-2-methyl-3-pyridinyl)benzamide?
The InChIKey is YQOUUMCRNZTEEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClFN3O2/c1-12-11-14(23)7-8-16(12)25-18-6-4-5-15(22)20(18)21(27)26-17-9-10-19(28-3)24-13(17)2/h4-11,25H,1-3H3,(H,26,27).
What are the key properties of 2-chloro-6-(4-fluoro-2-methylanilino)-N-(6-methoxy-2-methyl-3-pyridinyl)benzamide?
2-chloro-6-(4-fluoro-2-methylanilino)-N-(6-methoxy-2-methyl-3-pyridinyl)benzamide has a molecular weight of 399.85 g/mol, XLogP of 5.50, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-(4-fluoro-2-methylanilino)-N-(6-methoxy-2-methyl-3-pyridinyl)benzamide is sourced from PubChem (CID 155452610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).