2-fluoro-N-[[4-(2-propan-2-yloxypropyl)-2-pyridinyl]methyl]-4-(trifluoromethyl)benzamide

C20H22F4N2O2 — CID 142176233

IUPAC2-fluoro-N-[[4-(2-propan-2-yloxypropyl)-2-pyridinyl]methyl]-4-(trifluoromethyl)benzamide
SMILESCC(C)OC(C)Cc1ccnc(CNC(=O)c2ccc(C(F)(F)F)cc2F)c1
InChIInChI=1S/C20H22F4N2O2/c1-12(2)28-13(3)8-14-6-7-25-16(9-14)11-26-19(27)17-5-4-15(10-18(17)21)20(22,23)24/h4-7,9-10,12-13H,8,11H2,1-3H3,(H,26,27)
InChIKeyCEEYRNPZCRKWGC-UHFFFAOYSA-N
MW398.40 g/mol
LogP4.53
Rot. Bonds7

About 2-fluoro-N-[[4-(2-propan-2-yloxypropyl)-2-pyridinyl]methyl]-4-(trifluoromethyl)benzamide

2-fluoro-N-[[4-(2-propan-2-yloxypropyl)-2-pyridinyl]methyl]-4-(trifluoromethyl)benzamide (PubChem CID 142176233) has the molecular formula C20H22F4N2O2 and a molecular weight of 398.40 g/mol. Its IUPAC name is 2-fluoro-N-[[4-(2-propan-2-yloxypropyl)-2-pyridinyl]methyl]-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name2-fluoro-N-[[4-(2-propan-2-yloxypropyl)-2-pyridinyl]methyl]-4-(trifluoromethyl)benzamide
PubChem CID142176233
Molecular FormulaC20H22F4N2O2
Molecular Weight398.40 g/mol
Exact Mass398.16
IUPAC Name2-fluoro-N-[[4-(2-propan-2-yloxypropyl)-2-pyridinyl]methyl]-4-(trifluoromethyl)benzamide
SMILESCC(C)OC(C)Cc1ccnc(CNC(=O)c2ccc(C(F)(F)F)cc2F)c1
InChIInChI=1S/C20H22F4N2O2/c1-12(2)28-13(3)8-14-6-7-25-16(9-14)11-26-19(27)17-5-4-15(10-18(17)21)20(22,23)24/h4-7,9-10,12-13H,8,11H2,1-3H3,(H,26,27)
InChIKeyCEEYRNPZCRKWGC-UHFFFAOYSA-N
XLogP4.53
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.40
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-[[[2-fluoro-4-(trifluoromethyl)benzoyl]amino]methyl]-4-pyridinyl]-2-propan-2-yloxypropanoic acid;2,2,2-trifluoroacetic acid
CID 162321419
3-[2-[[(2-chloro-4-propoxybenzoyl)amino]methyl]-4-pyridinyl]-2-propan-2-yloxypropanoic acid
CID 20777298
2-methyl-N-[[4-(trifluoromethyl)-2-pyridinyl]methyl]pyrimidine-5-carboxamide
CID 118378317
4-[(carbamoylamino)methyl]-N-[[4-(trifluoromethyl)-2-pyridinyl]methyl]benzamide
CID 167934472
2-[[3-[3-[[[2-fluoro-4-(trifluoromethyl)benzoyl]amino]methyl]-4-methoxyphenyl]phenyl]methyl]butanoic acid
CID 59218928
2-[[(3-fluoropyridine-4-carbonyl)amino]methyl]pyridine-4-carboxylic acid
CID 114324148
1-[2-fluoro-4-(trifluoromethyl)phenyl]-2-methylbutan-1-one
CID 123240524
2,4-difluoro-N-(pyridin-2-ylmethyl)benzamide
CID 9414595
(2S)-2-[[4-fluoro-3-[[4-(trifluoromethyl)phenyl]methylcarbamoyl]phenyl]methyl]butanoic acid
CID 11567447
3-[2-[[[2-(2,4-dichlorophenyl)-5-methyl-1,3-thiazole-4-carbonyl]amino]methyl]-4-pyridinyl]-2-propan-2-yloxypropanoic acid
CID 22494201
2-(difluoromethylsulfanyl)-N-[[4-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide
CID 24553021
5-[4-butoxy-3-[[[2-fluoro-4-(trifluoromethyl)benzoyl]amino]methyl]phenyl]furan-2-carboxylic acid
CID 46879903

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[[4-(2-propan-2-yloxypropyl)-2-pyridinyl]methyl]-4-(trifluoromethyl)benzamide?
The IUPAC name of 2-fluoro-N-[[4-(2-propan-2-yloxypropyl)-2-pyridinyl]methyl]-4-(trifluoromethyl)benzamide (CID 142176233) is 2-fluoro-N-[[4-(2-propan-2-yloxypropyl)-2-pyridinyl]methyl]-4-(trifluoromethyl)benzamide.
What is the SMILES notation for 2-fluoro-N-[[4-(2-propan-2-yloxypropyl)-2-pyridinyl]methyl]-4-(trifluoromethyl)benzamide?
The canonical SMILES for 2-fluoro-N-[[4-(2-propan-2-yloxypropyl)-2-pyridinyl]methyl]-4-(trifluoromethyl)benzamide is CC(C)OC(C)Cc1ccnc(CNC(=O)c2ccc(C(F)(F)F)cc2F)c1.
What is the InChIKey of 2-fluoro-N-[[4-(2-propan-2-yloxypropyl)-2-pyridinyl]methyl]-4-(trifluoromethyl)benzamide?
The InChIKey is CEEYRNPZCRKWGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F4N2O2/c1-12(2)28-13(3)8-14-6-7-25-16(9-14)11-26-19(27)17-5-4-15(10-18(17)21)20(22,23)24/h4-7,9-10,12-13H,8,11H2,1-3H3,(H,26,27).
What are the key properties of 2-fluoro-N-[[4-(2-propan-2-yloxypropyl)-2-pyridinyl]methyl]-4-(trifluoromethyl)benzamide?
2-fluoro-N-[[4-(2-propan-2-yloxypropyl)-2-pyridinyl]methyl]-4-(trifluoromethyl)benzamide has a molecular weight of 398.40 g/mol, XLogP of 4.53, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[[4-(2-propan-2-yloxypropyl)-2-pyridinyl]methyl]-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 142176233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).