2-(4-fluoro-2-methylanilino)-N-(3-methoxy-1-methylpyrazol-5-yl)-4-(trifluoromethyl)benzamide

C20H18F4N4O2 — CID 155452612

IUPAC2-(4-fluoro-2-methylanilino)-N-(3-methoxy-1-methylpyrazol-5-yl)-4-(trifluoromethyl)benzamide
SMILESCOc1cc(NC(=O)c2ccc(C(F)(F)F)cc2Nc2ccc(F)cc2C)n(C)n1
InChIInChI=1S/C20H18F4N4O2/c1-11-8-13(21)5-7-15(11)25-16-9-12(20(22,23)24)4-6-14(16)19(29)26-17-10-18(30-3)27-28(17)2/h4-10,25H,1-3H3,(H,26,29)
InChIKeyJVFKHXUYYAIJKJ-UHFFFAOYSA-N
MW422.38 g/mol
LogP4.89
Rot. Bonds5

About 2-(4-fluoro-2-methylanilino)-N-(3-methoxy-1-methylpyrazol-5-yl)-4-(trifluoromethyl)benzamide

2-(4-fluoro-2-methylanilino)-N-(3-methoxy-1-methylpyrazol-5-yl)-4-(trifluoromethyl)benzamide (PubChem CID 155452612) has the molecular formula C20H18F4N4O2 and a molecular weight of 422.38 g/mol. Its IUPAC name is 2-(4-fluoro-2-methylanilino)-N-(3-methoxy-1-methylpyrazol-5-yl)-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name2-(4-fluoro-2-methylanilino)-N-(3-methoxy-1-methylpyrazol-5-yl)-4-(trifluoromethyl)benzamide
PubChem CID155452612
Molecular FormulaC20H18F4N4O2
Molecular Weight422.38 g/mol
Exact Mass422.14
IUPAC Name2-(4-fluoro-2-methylanilino)-N-(3-methoxy-1-methylpyrazol-5-yl)-4-(trifluoromethyl)benzamide
SMILESCOc1cc(NC(=O)c2ccc(C(F)(F)F)cc2Nc2ccc(F)cc2C)n(C)n1
InChIInChI=1S/C20H18F4N4O2/c1-11-8-13(21)5-7-15(11)25-16-9-12(20(22,23)24)4-6-14(16)19(29)26-17-10-18(30-3)27-28(17)2/h4-10,25H,1-3H3,(H,26,29)
InChIKeyJVFKHXUYYAIJKJ-UHFFFAOYSA-N
XLogP4.89
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.38
LogP ≤ 54.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-fluoro-2-methylanilino)-N-(6-methoxy-4-methylpyridazin-3-yl)-4-(trifluoromethyl)benzamide
CID 155452862
N-(2-chloro-6-methoxy-3-pyridinyl)-2-(4-fluoro-2-methylanilino)-5-(trifluoromethyl)benzamide
CID 155452663
N-(3-bromophenyl)-2-(4-fluoro-2-methylanilino)-4-(trifluoromethyl)benzamide
CID 155452624
2-(4-fluoro-2-methylanilino)-N-(5-methyl-3-pyridinyl)-5-(trifluoromethyl)benzamide
CID 155452342
N-(2-ethyl-6-methoxy-3-pyridinyl)-2-(4-fluoro-2-methylanilino)-4-(trifluoromethoxy)benzamide
CID 155452627
2-(4-fluoro-2-propan-2-ylanilino)-N-(6-methoxy-2-methyl-3-pyridinyl)-5-(trifluoromethyl)benzamide
CID 155452593
2-(4-chloro-2-methylanilino)-N-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]benzamide
CID 169091173
N-[3-(4-fluorophenyl)-1-methylpyrazol-5-yl]-2-methoxy-3-methylbenzamide
CID 17234016
ethyl 2-(4-fluoro-2-propan-2-ylanilino)-4-(trifluoromethyl)benzoate
CID 155452790
2-(4-bromo-2-methylanilino)-4-(trifluoromethyl)benzoic acid
CID 155452295
4-fluoro-N-[2-methyl-5-(trifluoromethyl)phenyl]benzamide
CID 66480354
methyl 2-(4-methoxy-2-methylanilino)-5-(trifluoromethyl)benzoate
CID 155452822

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluoro-2-methylanilino)-N-(3-methoxy-1-methylpyrazol-5-yl)-4-(trifluoromethyl)benzamide?
The IUPAC name of 2-(4-fluoro-2-methylanilino)-N-(3-methoxy-1-methylpyrazol-5-yl)-4-(trifluoromethyl)benzamide (CID 155452612) is 2-(4-fluoro-2-methylanilino)-N-(3-methoxy-1-methylpyrazol-5-yl)-4-(trifluoromethyl)benzamide.
What is the SMILES notation for 2-(4-fluoro-2-methylanilino)-N-(3-methoxy-1-methylpyrazol-5-yl)-4-(trifluoromethyl)benzamide?
The canonical SMILES for 2-(4-fluoro-2-methylanilino)-N-(3-methoxy-1-methylpyrazol-5-yl)-4-(trifluoromethyl)benzamide is COc1cc(NC(=O)c2ccc(C(F)(F)F)cc2Nc2ccc(F)cc2C)n(C)n1.
What is the InChIKey of 2-(4-fluoro-2-methylanilino)-N-(3-methoxy-1-methylpyrazol-5-yl)-4-(trifluoromethyl)benzamide?
The InChIKey is JVFKHXUYYAIJKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F4N4O2/c1-11-8-13(21)5-7-15(11)25-16-9-12(20(22,23)24)4-6-14(16)19(29)26-17-10-18(30-3)27-28(17)2/h4-10,25H,1-3H3,(H,26,29).
What are the key properties of 2-(4-fluoro-2-methylanilino)-N-(3-methoxy-1-methylpyrazol-5-yl)-4-(trifluoromethyl)benzamide?
2-(4-fluoro-2-methylanilino)-N-(3-methoxy-1-methylpyrazol-5-yl)-4-(trifluoromethyl)benzamide has a molecular weight of 422.38 g/mol, XLogP of 4.89, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluoro-2-methylanilino)-N-(3-methoxy-1-methylpyrazol-5-yl)-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 155452612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).