3-fluoro-4-(1,2,3,6-tetrahydropyridin-4-yl)-N-[4-(1,2,3,6-tetrahydropyridin-4-yl)-3-(trifluoromethoxy)phenyl]benzamide

C24H23F4N3O2 — CID 165118845

IUPAC3-fluoro-4-(1,2,3,6-tetrahydropyridin-4-yl)-N-[4-(1,2,3,6-tetrahydropyridin-4-yl)-3-(trifluoromethoxy)phenyl]benzamide
SMILESO=C(Nc1ccc(C2=CCNCC2)c(OC(F)(F)F)c1)c1ccc(C2=CCNCC2)c(F)c1
InChIInChI=1S/C24H23F4N3O2/c25-21-13-17(1-3-19(21)15-5-9-29-10-6-15)23(32)31-18-2-4-20(16-7-11-30-12-8-16)22(14-18)33-24(26,27)28/h1-5,7,13-14,29-30H,6,8-12H2,(H,31,32)
InChIKeyYWEYCLOKNXRCIE-UHFFFAOYSA-N
MW461.46 g/mol
LogP4.73
Rot. Bonds5

About 3-fluoro-4-(1,2,3,6-tetrahydropyridin-4-yl)-N-[4-(1,2,3,6-tetrahydropyridin-4-yl)-3-(trifluoromethoxy)phenyl]benzamide

3-fluoro-4-(1,2,3,6-tetrahydropyridin-4-yl)-N-[4-(1,2,3,6-tetrahydropyridin-4-yl)-3-(trifluoromethoxy)phenyl]benzamide (PubChem CID 165118845) has the molecular formula C24H23F4N3O2 and a molecular weight of 461.46 g/mol. Its IUPAC name is 3-fluoro-4-(1,2,3,6-tetrahydropyridin-4-yl)-N-[4-(1,2,3,6-tetrahydropyridin-4-yl)-3-(trifluoromethoxy)phenyl]benzamide.

Molecular Properties

Compound Name3-fluoro-4-(1,2,3,6-tetrahydropyridin-4-yl)-N-[4-(1,2,3,6-tetrahydropyridin-4-yl)-3-(trifluoromethoxy)phenyl]benzamide
PubChem CID165118845
Molecular FormulaC24H23F4N3O2
Molecular Weight461.46 g/mol
Exact Mass461.17
IUPAC Name3-fluoro-4-(1,2,3,6-tetrahydropyridin-4-yl)-N-[4-(1,2,3,6-tetrahydropyridin-4-yl)-3-(trifluoromethoxy)phenyl]benzamide
SMILESO=C(Nc1ccc(C2=CCNCC2)c(OC(F)(F)F)c1)c1ccc(C2=CCNCC2)c(F)c1
InChIInChI=1S/C24H23F4N3O2/c25-21-13-17(1-3-19(21)15-5-9-29-10-6-15)23(32)31-18-2-4-20(16-7-11-30-12-8-16)22(14-18)33-24(26,27)28/h1-5,7,13-14,29-30H,6,8-12H2,(H,31,32)
InChIKeyYWEYCLOKNXRCIE-UHFFFAOYSA-N
XLogP4.73
TPSA62.39 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.46
LogP ≤ 54.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(aminomethyl)phenyl]-3-fluoro-4-(1,2,3,6-tetrahydropyridin-4-yl)benzamide
CID 165118667
3-fluoro-4-(1,2,3,6-tetrahydropyridin-4-yl)-N-[6-(1,2,3,6-tetrahydropyridin-4-yl)-3-pyridinyl]benzamide
CID 165119006
3-chloro-N-[3-chloro-4-(1,2,3,6-tetrahydropyridin-4-yl)phenyl]-4-(1,2,3,6-tetrahydropyridin-4-yl)benzamide;bis(2,2,2-trifluoroacetic acid)
CID 175769493
tert-butyl 4-[2-fluoro-4-[[3-fluoro-4-(1,2,3,6-tetrahydropyridin-4-yl)benzoyl]amino]phenyl]piperazine-1-carboxylate
CID 167190429
N-[3-ethyl-4-[(E)-pent-2-en-3-yl]phenyl]-3-fluoro-4-(1,2,3,6-tetrahydropyridin-4-yl)benzamide
CID 165118474
N-[3-chloro-2-methyl-4-(1,2,3,6-tetrahydropyridin-4-yl)phenyl]-3-fluoro-4-(1,2,3,6-tetrahydropyridin-4-yl)benzamide
CID 165118518
tert-butyl N-[[4-[[3-fluoro-4-(1,2,3,6-tetrahydropyridin-4-yl)phenyl]carbamoyl]phenyl]methyl]carbamate
CID 165118105
ethane;N-[3-ethyl-4-[(E)-pent-2-en-3-yl]phenyl]-3-fluoro-4-(1,2,3,6-tetrahydropyridin-4-yl)benzamide
CID 165118473
3-fluoro-N-[3-methyl-4-(1,2,3,6-tetrahydropyridin-4-yl)phenyl]-4-(1,2,3,6-tetrahydropyridin-4-yl)benzamide;(Z,3E)-3-hydrazinylideneprop-1-en-1-amine
CID 165118361
N-[3-fluoro-4-(1,2,3,6-tetrahydropyridin-4-yl)phenyl]-2-methyl-4-(1,2,3,6-tetrahydropyridin-4-yl)benzamide;bis(2,2,2-trifluoroacetic acid)
CID 175769556
N-[3-methyl-4-(1,2,3,6-tetrahydropyridin-4-yl)phenyl]-2,3-dihydro-1H-isoindole-5-carboxamide
CID 165118046
3-fluoro-N-[6-[(E)-pent-2-en-3-yl]pyridazin-3-yl]-4-(1,2,3,6-tetrahydropyridin-4-yl)benzamide
CID 165118912

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-(1,2,3,6-tetrahydropyridin-4-yl)-N-[4-(1,2,3,6-tetrahydropyridin-4-yl)-3-(trifluoromethoxy)phenyl]benzamide?
The IUPAC name of 3-fluoro-4-(1,2,3,6-tetrahydropyridin-4-yl)-N-[4-(1,2,3,6-tetrahydropyridin-4-yl)-3-(trifluoromethoxy)phenyl]benzamide (CID 165118845) is 3-fluoro-4-(1,2,3,6-tetrahydropyridin-4-yl)-N-[4-(1,2,3,6-tetrahydropyridin-4-yl)-3-(trifluoromethoxy)phenyl]benzamide.
What is the SMILES notation for 3-fluoro-4-(1,2,3,6-tetrahydropyridin-4-yl)-N-[4-(1,2,3,6-tetrahydropyridin-4-yl)-3-(trifluoromethoxy)phenyl]benzamide?
The canonical SMILES for 3-fluoro-4-(1,2,3,6-tetrahydropyridin-4-yl)-N-[4-(1,2,3,6-tetrahydropyridin-4-yl)-3-(trifluoromethoxy)phenyl]benzamide is O=C(Nc1ccc(C2=CCNCC2)c(OC(F)(F)F)c1)c1ccc(C2=CCNCC2)c(F)c1.
What is the InChIKey of 3-fluoro-4-(1,2,3,6-tetrahydropyridin-4-yl)-N-[4-(1,2,3,6-tetrahydropyridin-4-yl)-3-(trifluoromethoxy)phenyl]benzamide?
The InChIKey is YWEYCLOKNXRCIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F4N3O2/c25-21-13-17(1-3-19(21)15-5-9-29-10-6-15)23(32)31-18-2-4-20(16-7-11-30-12-8-16)22(14-18)33-24(26,27)28/h1-5,7,13-14,29-30H,6,8-12H2,(H,31,32).
What are the key properties of 3-fluoro-4-(1,2,3,6-tetrahydropyridin-4-yl)-N-[4-(1,2,3,6-tetrahydropyridin-4-yl)-3-(trifluoromethoxy)phenyl]benzamide?
3-fluoro-4-(1,2,3,6-tetrahydropyridin-4-yl)-N-[4-(1,2,3,6-tetrahydropyridin-4-yl)-3-(trifluoromethoxy)phenyl]benzamide has a molecular weight of 461.46 g/mol, XLogP of 4.73, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-(1,2,3,6-tetrahydropyridin-4-yl)-N-[4-(1,2,3,6-tetrahydropyridin-4-yl)-3-(trifluoromethoxy)phenyl]benzamide is sourced from PubChem (CID 165118845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).