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)

C28H28F7N3O5 — CID 175769556

IUPACN-[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)
SMILESCc1cc(C2=CCNCC2)ccc1C(=O)Nc1ccc(C2=CCNCC2)c(F)c1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
InChIInChI=1S/C24H26FN3O.2C2HF3O2/c1-16-14-19(17-6-10-26-11-7-17)2-4-21(16)24(29)28-20-3-5-22(23(25)15-20)18-8-12-27-13-9-18;2*3-2(4,5)1(6)7/h2-6,8,14-15,26-27H,7,9-13H2,1H3,(H,28,29);2*(H,6,7)
InChIKeyREYOMFFHUZYTNE-UHFFFAOYSA-N
MW619.53 g/mol
LogP5.41
Rot. Bonds4

About 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)

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) (PubChem CID 175769556) has the molecular formula C28H28F7N3O5 and a molecular weight of 619.53 g/mol. Its IUPAC name is 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).

Molecular Properties

Compound NameN-[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)
PubChem CID175769556
Molecular FormulaC28H28F7N3O5
Molecular Weight619.53 g/mol
Exact Mass619.19
IUPAC NameN-[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)
SMILESCc1cc(C2=CCNCC2)ccc1C(=O)Nc1ccc(C2=CCNCC2)c(F)c1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
InChIInChI=1S/C24H26FN3O.2C2HF3O2/c1-16-14-19(17-6-10-26-11-7-17)2-4-21(16)24(29)28-20-3-5-22(23(25)15-20)18-8-12-27-13-9-18;2*3-2(4,5)1(6)7/h2-6,8,14-15,26-27H,7,9-13H2,1H3,(H,28,29);2*(H,6,7)
InChIKeyREYOMFFHUZYTNE-UHFFFAOYSA-N
XLogP5.41
TPSA127.76 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500619.53
LogP ≤ 55.41
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Analyze 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) with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-(diaminomethylideneamino)phenyl]-2-methyl-4-(1,2,3,6-tetrahydropyridin-4-yl)benzamide
CID 165118090
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
4-(1-carbamimidoyl-3,6-dihydro-2H-pyridin-4-yl)-N-[4-(1-carbamimidoyl-3,6-dihydro-2H-pyridin-4-yl)-3-fluorophenyl]-2-methylbenzamide
CID 165119238
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
N-[3-ethyl-4-[(E)-pent-2-en-3-yl]phenyl]-3-fluoro-4-(1,2,3,6-tetrahydropyridin-4-yl)benzamide
CID 165118474
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
tert-butyl N-[[4-[[3-fluoro-4-(1,2,3,6-tetrahydropyridin-4-yl)phenyl]carbamoyl]phenyl]methyl]carbamate
CID 165118105
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-[4-(aminomethyl)phenyl]-3-fluoro-4-(1,2,3,6-tetrahydropyridin-4-yl)benzamide
CID 165118667
2-methyl-N-[(3Z)-penta-1,3-dien-2-yl]-4-(1,2,3,6-tetrahydropyridin-4-yl)benzamide
CID 167190467
3-fluoro-4-(1,2,3,6-tetrahydropyridin-4-yl)-N-[6-(1,2,3,6-tetrahydropyridin-4-yl)-3-pyridinyl]benzamide
CID 165119006
bis(4-(1,2,3,6-tetrahydropyridin-4-yl)aniline);2,2,2-trifluoroacetic acid
CID 175843365

Frequently Asked Questions

What is the IUPAC name of 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)?
The IUPAC name of 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) is 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).
What is the SMILES notation for 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)?
The canonical SMILES for 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) is Cc1cc(C2=CCNCC2)ccc1C(=O)Nc1ccc(C2=CCNCC2)c(F)c1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.
What is the InChIKey of 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)?
The InChIKey is REYOMFFHUZYTNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26FN3O.2C2HF3O2/c1-16-14-19(17-6-10-26-11-7-17)2-4-21(16)24(29)28-20-3-5-22(23(25)15-20)18-8-12-27-13-9-18;2*3-2(4,5)1(6)7/h2-6,8,14-15,26-27H,7,9-13H2,1H3,(H,28,29);2*(H,6,7).
What are the key properties of 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)?
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) has a molecular weight of 619.53 g/mol, XLogP of 5.41, 4 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 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) is sourced from PubChem (CID 175769556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).