2-(3-cyano-4-fluoro-2-methylanilino)-N-(6-methoxy-2-methyl-3-pyridinyl)-5-(trifluoromethyl)benzamide

C23H18F4N4O2 — CID 155452867

IUPAC2-(3-cyano-4-fluoro-2-methylanilino)-N-(6-methoxy-2-methyl-3-pyridinyl)-5-(trifluoromethyl)benzamide
SMILESCOc1ccc(NC(=O)c2cc(C(F)(F)F)ccc2Nc2ccc(F)c(C#N)c2C)c(C)n1
InChIInChI=1S/C23H18F4N4O2/c1-12-16(11-28)17(24)5-7-18(12)30-20-6-4-14(23(25,26)27)10-15(20)22(32)31-19-8-9-21(33-3)29-13(19)2/h4-10,30H,1-3H3,(H,31,32)
InChIKeyCRSCHZRXXSYAKW-UHFFFAOYSA-N
MW458.42 g/mol
LogP5.73
Rot. Bonds5

About 2-(3-cyano-4-fluoro-2-methylanilino)-N-(6-methoxy-2-methyl-3-pyridinyl)-5-(trifluoromethyl)benzamide

2-(3-cyano-4-fluoro-2-methylanilino)-N-(6-methoxy-2-methyl-3-pyridinyl)-5-(trifluoromethyl)benzamide (PubChem CID 155452867) has the molecular formula C23H18F4N4O2 and a molecular weight of 458.42 g/mol. Its IUPAC name is 2-(3-cyano-4-fluoro-2-methylanilino)-N-(6-methoxy-2-methyl-3-pyridinyl)-5-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name2-(3-cyano-4-fluoro-2-methylanilino)-N-(6-methoxy-2-methyl-3-pyridinyl)-5-(trifluoromethyl)benzamide
PubChem CID155452867
Molecular FormulaC23H18F4N4O2
Molecular Weight458.42 g/mol
Exact Mass458.14
IUPAC Name2-(3-cyano-4-fluoro-2-methylanilino)-N-(6-methoxy-2-methyl-3-pyridinyl)-5-(trifluoromethyl)benzamide
SMILESCOc1ccc(NC(=O)c2cc(C(F)(F)F)ccc2Nc2ccc(F)c(C#N)c2C)c(C)n1
InChIInChI=1S/C23H18F4N4O2/c1-12-16(11-28)17(24)5-7-18(12)30-20-6-4-14(23(25,26)27)10-15(20)22(32)31-19-8-9-21(33-3)29-13(19)2/h4-10,30H,1-3H3,(H,31,32)
InChIKeyCRSCHZRXXSYAKW-UHFFFAOYSA-N
XLogP5.73
TPSA87.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.42
LogP ≤ 55.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-fluoro-2-propan-2-ylanilino)-N-(6-methoxy-2-methyl-3-pyridinyl)-5-(trifluoromethyl)benzamide
CID 155452593
N-(2-chloro-6-methoxy-3-pyridinyl)-2-(4-fluoro-2-methylanilino)-5-(trifluoromethyl)benzamide
CID 155452663
2-(3-chloro-2-methylanilino)-N-(6-methoxy-2-methyl-3-pyridinyl)-5-(trifluoromethyl)pyridine-3-carboxamide
CID 155452506
2-fluoro-4-methoxy-N-(6-methoxy-2-methyl-3-pyridinyl)benzamide
CID 71970253
N-(6-methoxy-2-methyl-3-pyridinyl)-2-[[(1R,2S)-2-methylcyclohexyl]amino]-4-(trifluoromethyl)benzamide
CID 155452510
2-(3,4-difluoro-2-methylanilino)-5-(trifluoromethyl)benzoic acid
CID 155452887
tert-butyl N-[2-[2-[2-[(2-bromo-6-methoxy-3-pyridinyl)carbamoyl]-4-(trifluoromethyl)anilino]-5-fluorophenoxy]ethyl]carbamate
CID 170612086
5-chloro-6-cyano-2-(2-ethyl-4-fluoroanilino)-N-(6-methoxy-2-methyl-3-pyridinyl)pyridine-3-carboxamide
CID 175867565
N-[2-cyano-4-(trifluoromethyl)phenyl]-5-methyl-1H-pyrazole-4-carboxamide
CID 115911270
N-[2-fluoro-5-(trifluoromethyl)phenyl]-4-methoxybenzamide
CID 2224741
2-(5-cyano-2,6-dimethylpyrimidin-4-yl)sulfanyl-N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]acetamide
CID 24631082
methyl 2-(4-methoxy-2-methylanilino)-5-(trifluoromethyl)benzoate
CID 155452822

Frequently Asked Questions

What is the IUPAC name of 2-(3-cyano-4-fluoro-2-methylanilino)-N-(6-methoxy-2-methyl-3-pyridinyl)-5-(trifluoromethyl)benzamide?
The IUPAC name of 2-(3-cyano-4-fluoro-2-methylanilino)-N-(6-methoxy-2-methyl-3-pyridinyl)-5-(trifluoromethyl)benzamide (CID 155452867) is 2-(3-cyano-4-fluoro-2-methylanilino)-N-(6-methoxy-2-methyl-3-pyridinyl)-5-(trifluoromethyl)benzamide.
What is the SMILES notation for 2-(3-cyano-4-fluoro-2-methylanilino)-N-(6-methoxy-2-methyl-3-pyridinyl)-5-(trifluoromethyl)benzamide?
The canonical SMILES for 2-(3-cyano-4-fluoro-2-methylanilino)-N-(6-methoxy-2-methyl-3-pyridinyl)-5-(trifluoromethyl)benzamide is COc1ccc(NC(=O)c2cc(C(F)(F)F)ccc2Nc2ccc(F)c(C#N)c2C)c(C)n1.
What is the InChIKey of 2-(3-cyano-4-fluoro-2-methylanilino)-N-(6-methoxy-2-methyl-3-pyridinyl)-5-(trifluoromethyl)benzamide?
The InChIKey is CRSCHZRXXSYAKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18F4N4O2/c1-12-16(11-28)17(24)5-7-18(12)30-20-6-4-14(23(25,26)27)10-15(20)22(32)31-19-8-9-21(33-3)29-13(19)2/h4-10,30H,1-3H3,(H,31,32).
What are the key properties of 2-(3-cyano-4-fluoro-2-methylanilino)-N-(6-methoxy-2-methyl-3-pyridinyl)-5-(trifluoromethyl)benzamide?
2-(3-cyano-4-fluoro-2-methylanilino)-N-(6-methoxy-2-methyl-3-pyridinyl)-5-(trifluoromethyl)benzamide has a molecular weight of 458.42 g/mol, XLogP of 5.73, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyano-4-fluoro-2-methylanilino)-N-(6-methoxy-2-methyl-3-pyridinyl)-5-(trifluoromethyl)benzamide is sourced from PubChem (CID 155452867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).