5-fluoro-N-(1-propan-2-ylpiperidin-4-yl)-2-[3-(trifluoromethyl)phenyl]benzamide

C22H24F4N2O — CID 112834568

IUPAC5-fluoro-N-(1-propan-2-ylpiperidin-4-yl)-2-[3-(trifluoromethyl)phenyl]benzamide
SMILESCC(C)N1CCC(NC(=O)c2cc(F)ccc2-c2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C22H24F4N2O/c1-14(2)28-10-8-18(9-11-28)27-21(29)20-13-17(23)6-7-19(20)15-4-3-5-16(12-15)22(24,25)26/h3-7,12-14,18H,8-11H2,1-2H3,(H,27,29)
InChIKeyGBIXNDGCFMWRDN-UHFFFAOYSA-N
MW408.44 g/mol
LogP5.11
Rot. Bonds4

About 5-fluoro-N-(1-propan-2-ylpiperidin-4-yl)-2-[3-(trifluoromethyl)phenyl]benzamide

5-fluoro-N-(1-propan-2-ylpiperidin-4-yl)-2-[3-(trifluoromethyl)phenyl]benzamide (PubChem CID 112834568) has the molecular formula C22H24F4N2O and a molecular weight of 408.44 g/mol. Its IUPAC name is 5-fluoro-N-(1-propan-2-ylpiperidin-4-yl)-2-[3-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

Compound Name5-fluoro-N-(1-propan-2-ylpiperidin-4-yl)-2-[3-(trifluoromethyl)phenyl]benzamide
PubChem CID112834568
Molecular FormulaC22H24F4N2O
Molecular Weight408.44 g/mol
Exact Mass408.18
IUPAC Name5-fluoro-N-(1-propan-2-ylpiperidin-4-yl)-2-[3-(trifluoromethyl)phenyl]benzamide
SMILESCC(C)N1CCC(NC(=O)c2cc(F)ccc2-c2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C22H24F4N2O/c1-14(2)28-10-8-18(9-11-28)27-21(29)20-13-17(23)6-7-19(20)15-4-3-5-16(12-15)22(24,25)26/h3-7,12-14,18H,8-11H2,1-2H3,(H,27,29)
InChIKeyGBIXNDGCFMWRDN-UHFFFAOYSA-N
XLogP5.11
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.44
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-4-fluoro-N-(1-propan-2-ylpiperidin-4-yl)benzamide
CID 51219889
N-[2-(ethylamino)ethyl]-5-fluoro-2-[3-(trifluoromethyl)phenyl]benzamide;hydrochloride
CID 119504852
5-fluoro-N-[3-(methylamino)propyl]-2-[3-(trifluoromethyl)phenyl]benzamide
CID 119429718
N-(1-methylpiperidin-4-yl)-4-[3-(trifluoromethyl)phenyl]-1H-pyrazole-5-carboxamide
CID 154654049
5-fluoro-N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-[3-(trifluoromethyl)phenyl]benzamide
CID 120943802
[(3S)-3-(aminomethyl)pyrrolidin-1-yl]-[5-fluoro-2-[3-(trifluoromethyl)phenyl]phenyl]methanone
CID 124611148
2-chloro-4,5-difluoro-N-(1-propan-2-ylpiperidin-4-yl)benzamide
CID 17173512
2-fluoro-4-methoxy-N-(1-propan-2-ylpiperidin-4-yl)benzamide
CID 103603318
2,3-dimethoxy-N-(1-propan-2-ylpiperidin-4-yl)benzamide
CID 25236643
2,6-dimethoxy-N-(1-propan-2-ylpiperidin-4-yl)benzamide
CID 110751950
1,4-diazepan-1-yl-[5-fluoro-2-[3-(trifluoromethyl)phenyl]phenyl]methanone
CID 119414339
5-fluoro-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-2-[3-(trifluoromethyl)phenyl]benzamide
CID 112834460

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-(1-propan-2-ylpiperidin-4-yl)-2-[3-(trifluoromethyl)phenyl]benzamide?
The IUPAC name of 5-fluoro-N-(1-propan-2-ylpiperidin-4-yl)-2-[3-(trifluoromethyl)phenyl]benzamide (CID 112834568) is 5-fluoro-N-(1-propan-2-ylpiperidin-4-yl)-2-[3-(trifluoromethyl)phenyl]benzamide.
What is the SMILES notation for 5-fluoro-N-(1-propan-2-ylpiperidin-4-yl)-2-[3-(trifluoromethyl)phenyl]benzamide?
The canonical SMILES for 5-fluoro-N-(1-propan-2-ylpiperidin-4-yl)-2-[3-(trifluoromethyl)phenyl]benzamide is CC(C)N1CCC(NC(=O)c2cc(F)ccc2-c2cccc(C(F)(F)F)c2)CC1.
What is the InChIKey of 5-fluoro-N-(1-propan-2-ylpiperidin-4-yl)-2-[3-(trifluoromethyl)phenyl]benzamide?
The InChIKey is GBIXNDGCFMWRDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24F4N2O/c1-14(2)28-10-8-18(9-11-28)27-21(29)20-13-17(23)6-7-19(20)15-4-3-5-16(12-15)22(24,25)26/h3-7,12-14,18H,8-11H2,1-2H3,(H,27,29).
What are the key properties of 5-fluoro-N-(1-propan-2-ylpiperidin-4-yl)-2-[3-(trifluoromethyl)phenyl]benzamide?
5-fluoro-N-(1-propan-2-ylpiperidin-4-yl)-2-[3-(trifluoromethyl)phenyl]benzamide has a molecular weight of 408.44 g/mol, XLogP of 5.11, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-(1-propan-2-ylpiperidin-4-yl)-2-[3-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 112834568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).