7-fluoro-N,2-dimethyl-N-[[2-(trifluoromethoxy)phenyl]methyl]quinoline-4-carboxamide

C20H16F4N2O2 — CID 55608409

IUPAC7-fluoro-N,2-dimethyl-N-[[2-(trifluoromethoxy)phenyl]methyl]quinoline-4-carboxamide
SMILESCc1cc(C(=O)N(C)Cc2ccccc2OC(F)(F)F)c2ccc(F)cc2n1
InChIInChI=1S/C20H16F4N2O2/c1-12-9-16(15-8-7-14(21)10-17(15)25-12)19(27)26(2)11-13-5-3-4-6-18(13)28-20(22,23)24/h3-10H,11H2,1-2H3
InChIKeyLERQTBBXVCMROV-UHFFFAOYSA-N
MW392.35 g/mol
LogP4.85
Rot. Bonds4

About 7-fluoro-N,2-dimethyl-N-[[2-(trifluoromethoxy)phenyl]methyl]quinoline-4-carboxamide

7-fluoro-N,2-dimethyl-N-[[2-(trifluoromethoxy)phenyl]methyl]quinoline-4-carboxamide (PubChem CID 55608409) has the molecular formula C20H16F4N2O2 and a molecular weight of 392.35 g/mol. Its IUPAC name is 7-fluoro-N,2-dimethyl-N-[[2-(trifluoromethoxy)phenyl]methyl]quinoline-4-carboxamide.

Molecular Properties

Compound Name7-fluoro-N,2-dimethyl-N-[[2-(trifluoromethoxy)phenyl]methyl]quinoline-4-carboxamide
PubChem CID55608409
Molecular FormulaC20H16F4N2O2
Molecular Weight392.35 g/mol
Exact Mass392.11
IUPAC Name7-fluoro-N,2-dimethyl-N-[[2-(trifluoromethoxy)phenyl]methyl]quinoline-4-carboxamide
SMILESCc1cc(C(=O)N(C)Cc2ccccc2OC(F)(F)F)c2ccc(F)cc2n1
InChIInChI=1S/C20H16F4N2O2/c1-12-9-16(15-8-7-14(21)10-17(15)25-12)19(27)26(2)11-13-5-3-4-6-18(13)28-20(22,23)24/h3-10H,11H2,1-2H3
InChIKeyLERQTBBXVCMROV-UHFFFAOYSA-N
XLogP4.85
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.35
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

7-fluoro-N,2-dimethyl-N-[(2-nitrophenyl)methyl]quinoline-4-carboxamide
CID 46687409
N,5,7-trimethyl-N-[[2-(trifluoromethoxy)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 38076546
5-(4-fluorophenyl)-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]-1H-pyrazole-4-carboxamide
CID 24661008
7-fluoro-N,2-dimethyl-N-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]quinoline-4-carboxamide
CID 70783263
2-(2-methoxyethoxy)-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]benzamide
CID 55997231
7-fluoro-N-[(2-hydroxycyclohexyl)methyl]-N,2-dimethylquinoline-4-carboxamide
CID 110003775
7-fluoro-N-[(2-hydroxycyclopentyl)methyl]-N,2-dimethylquinoline-4-carboxamide
CID 109400346
3-bromo-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]benzamide
CID 52560868
5-bromo-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]pyridine-3-carboxamide
CID 55550717
N,2,5-trimethyl-1-(pyridin-2-ylmethyl)-N-[[2-(trifluoromethoxy)phenyl]methyl]pyrrole-3-carboxamide
CID 78864814
2-amino-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide
CID 119278536
N-methyl-2-(thiophene-2-carbonyl)-N-[[2-(trifluoromethoxy)phenyl]methyl]benzamide
CID 38274579

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-N,2-dimethyl-N-[[2-(trifluoromethoxy)phenyl]methyl]quinoline-4-carboxamide?
The IUPAC name of 7-fluoro-N,2-dimethyl-N-[[2-(trifluoromethoxy)phenyl]methyl]quinoline-4-carboxamide (CID 55608409) is 7-fluoro-N,2-dimethyl-N-[[2-(trifluoromethoxy)phenyl]methyl]quinoline-4-carboxamide.
What is the SMILES notation for 7-fluoro-N,2-dimethyl-N-[[2-(trifluoromethoxy)phenyl]methyl]quinoline-4-carboxamide?
The canonical SMILES for 7-fluoro-N,2-dimethyl-N-[[2-(trifluoromethoxy)phenyl]methyl]quinoline-4-carboxamide is Cc1cc(C(=O)N(C)Cc2ccccc2OC(F)(F)F)c2ccc(F)cc2n1.
What is the InChIKey of 7-fluoro-N,2-dimethyl-N-[[2-(trifluoromethoxy)phenyl]methyl]quinoline-4-carboxamide?
The InChIKey is LERQTBBXVCMROV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F4N2O2/c1-12-9-16(15-8-7-14(21)10-17(15)25-12)19(27)26(2)11-13-5-3-4-6-18(13)28-20(22,23)24/h3-10H,11H2,1-2H3.
What are the key properties of 7-fluoro-N,2-dimethyl-N-[[2-(trifluoromethoxy)phenyl]methyl]quinoline-4-carboxamide?
7-fluoro-N,2-dimethyl-N-[[2-(trifluoromethoxy)phenyl]methyl]quinoline-4-carboxamide has a molecular weight of 392.35 g/mol, XLogP of 4.85, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-N,2-dimethyl-N-[[2-(trifluoromethoxy)phenyl]methyl]quinoline-4-carboxamide is sourced from PubChem (CID 55608409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).