4-[3-fluoro-2-(trifluoromethyl)anilino]-N,N,8-trimethylnaphthalene-1-carboxamide

C21H18F4N2O — CID 71204125

IUPAC4-[3-fluoro-2-(trifluoromethyl)anilino]-N,N,8-trimethylnaphthalene-1-carboxamide
SMILESCc1cccc2c(Nc3cccc(F)c3C(F)(F)F)ccc(C(=O)N(C)C)c12
InChIInChI=1S/C21H18F4N2O/c1-12-6-4-7-13-16(11-10-14(18(12)13)20(28)27(2)3)26-17-9-5-8-15(22)19(17)21(23,24)25/h4-11,26H,1-3H3
InChIKeyGKMASYGOAWBKSH-UHFFFAOYSA-N
MW390.38 g/mol
LogP5.75
Rot. Bonds3

About 4-[3-fluoro-2-(trifluoromethyl)anilino]-N,N,8-trimethylnaphthalene-1-carboxamide

4-[3-fluoro-2-(trifluoromethyl)anilino]-N,N,8-trimethylnaphthalene-1-carboxamide (PubChem CID 71204125) has the molecular formula C21H18F4N2O and a molecular weight of 390.38 g/mol. Its IUPAC name is 4-[3-fluoro-2-(trifluoromethyl)anilino]-N,N,8-trimethylnaphthalene-1-carboxamide.

Molecular Properties

Compound Name4-[3-fluoro-2-(trifluoromethyl)anilino]-N,N,8-trimethylnaphthalene-1-carboxamide
PubChem CID71204125
Molecular FormulaC21H18F4N2O
Molecular Weight390.38 g/mol
Exact Mass390.14
IUPAC Name4-[3-fluoro-2-(trifluoromethyl)anilino]-N,N,8-trimethylnaphthalene-1-carboxamide
SMILESCc1cccc2c(Nc3cccc(F)c3C(F)(F)F)ccc(C(=O)N(C)C)c12
InChIInChI=1S/C21H18F4N2O/c1-12-6-4-7-13-16(11-10-14(18(12)13)20(28)27(2)3)26-17-9-5-8-15(22)19(17)21(23,24)25/h4-11,26H,1-3H3
InChIKeyGKMASYGOAWBKSH-UHFFFAOYSA-N
XLogP5.75
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.38
LogP ≤ 55.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2,3-dimethylanilino)-N,N,8-trimethylnaphthalene-1-carboxamide
CID 71186183
4-(2,3-difluoroanilino)-N,N-diethyl-8-methylnaphthalene-1-carboxamide
CID 71203866
N,N-diethyl-1-[3-fluoro-2-(trifluoromethyl)anilino]-5-methylisoquinoline-4-carboxamide
CID 71187217
5-chloro-N-ethyl-1-[3-fluoro-2-(trifluoromethyl)anilino]-N-methylisoquinoline-4-carboxamide
CID 71186122
N,N,2-trimethyl-5-[[5-methyl-4-(piperidine-1-carbonyl)naphthalen-1-yl]amino]benzamide
CID 71203996
5-chloro-N,N-diethyl-1-[3-fluoro-2-(trifluoromethyl)anilino]isoquinoline-4-carboxamide
CID 71203859
N,N-dimethyl-2-(2-methylanilino)benzamide
CID 11402568
1-(3,5-difluoroanilino)-N,N,5-trimethylisoquinoline-4-carboxamide
CID 71186251
3-amino-4-(3-fluoro-2-methylanilino)-N,N-dimethylbenzamide
CID 82990211
3-fluoro-N-methyl-2-(trifluoromethyl)benzohydrazide
CID 178112374
1-(2,3-difluoroanilino)-N,N-diethyl-5-methylisoquinoline-4-carboxamide
CID 71186144
ethane;1-fluoro-3-methyl-2-(trifluoromethyl)benzene
CID 143902908

Frequently Asked Questions

What is the IUPAC name of 4-[3-fluoro-2-(trifluoromethyl)anilino]-N,N,8-trimethylnaphthalene-1-carboxamide?
The IUPAC name of 4-[3-fluoro-2-(trifluoromethyl)anilino]-N,N,8-trimethylnaphthalene-1-carboxamide (CID 71204125) is 4-[3-fluoro-2-(trifluoromethyl)anilino]-N,N,8-trimethylnaphthalene-1-carboxamide.
What is the SMILES notation for 4-[3-fluoro-2-(trifluoromethyl)anilino]-N,N,8-trimethylnaphthalene-1-carboxamide?
The canonical SMILES for 4-[3-fluoro-2-(trifluoromethyl)anilino]-N,N,8-trimethylnaphthalene-1-carboxamide is Cc1cccc2c(Nc3cccc(F)c3C(F)(F)F)ccc(C(=O)N(C)C)c12.
What is the InChIKey of 4-[3-fluoro-2-(trifluoromethyl)anilino]-N,N,8-trimethylnaphthalene-1-carboxamide?
The InChIKey is GKMASYGOAWBKSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18F4N2O/c1-12-6-4-7-13-16(11-10-14(18(12)13)20(28)27(2)3)26-17-9-5-8-15(22)19(17)21(23,24)25/h4-11,26H,1-3H3.
What are the key properties of 4-[3-fluoro-2-(trifluoromethyl)anilino]-N,N,8-trimethylnaphthalene-1-carboxamide?
4-[3-fluoro-2-(trifluoromethyl)anilino]-N,N,8-trimethylnaphthalene-1-carboxamide has a molecular weight of 390.38 g/mol, XLogP of 5.75, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-fluoro-2-(trifluoromethyl)anilino]-N,N,8-trimethylnaphthalene-1-carboxamide is sourced from PubChem (CID 71204125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).