3-[2-[3-methoxypropyl(methyl)amino]ethyl]-N-(3,4,5-trifluorophenyl)benzamide

C20H23F3N2O2 — CID 134448310

IUPAC3-[2-[3-methoxypropyl(methyl)amino]ethyl]-N-(3,4,5-trifluorophenyl)benzamide
SMILESCOCCCN(C)CCc1cccc(C(=O)Nc2cc(F)c(F)c(F)c2)c1
InChIInChI=1S/C20H23F3N2O2/c1-25(8-4-10-27-2)9-7-14-5-3-6-15(11-14)20(26)24-16-12-17(21)19(23)18(22)13-16/h3,5-6,11-13H,4,7-10H2,1-2H3,(H,24,26)
InChIKeyPHODUGIQBJRBGP-UHFFFAOYSA-N
MW380.41 g/mol
LogP3.87
Rot. Bonds9

About 3-[2-[3-methoxypropyl(methyl)amino]ethyl]-N-(3,4,5-trifluorophenyl)benzamide

3-[2-[3-methoxypropyl(methyl)amino]ethyl]-N-(3,4,5-trifluorophenyl)benzamide (PubChem CID 134448310) has the molecular formula C20H23F3N2O2 and a molecular weight of 380.41 g/mol. Its IUPAC name is 3-[2-[3-methoxypropyl(methyl)amino]ethyl]-N-(3,4,5-trifluorophenyl)benzamide.

Molecular Properties

Compound Name3-[2-[3-methoxypropyl(methyl)amino]ethyl]-N-(3,4,5-trifluorophenyl)benzamide
PubChem CID134448310
Molecular FormulaC20H23F3N2O2
Molecular Weight380.41 g/mol
Exact Mass380.17
IUPAC Name3-[2-[3-methoxypropyl(methyl)amino]ethyl]-N-(3,4,5-trifluorophenyl)benzamide
SMILESCOCCCN(C)CCc1cccc(C(=O)Nc2cc(F)c(F)c(F)c2)c1
InChIInChI=1S/C20H23F3N2O2/c1-25(8-4-10-27-2)9-7-14-5-3-6-15(11-14)20(26)24-16-12-17(21)19(23)18(22)13-16/h3,5-6,11-13H,4,7-10H2,1-2H3,(H,24,26)
InChIKeyPHODUGIQBJRBGP-UHFFFAOYSA-N
XLogP3.87
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.41
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

N-(3-chloro-4-methylphenyl)-3-[2-[2-methoxyethyl(methyl)amino]ethyl]benzamide
CID 146477217
3-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]-N-phenylbenzamide
CID 87022215
3-hydroxy-N-(3,4,5-trifluorophenyl)benzamide
CID 55118892
N-(3-fluorophenyl)-3-(methoxymethyl)benzamide
CID 17462584
3-(chloromethyl)-N-(3-methoxypropyl)-N-methylbenzamide
CID 55141461
N-(4-fluorophenyl)-3-propylbenzamide
CID 67124945
N-[4-[2-(dimethylamino)ethoxy]phenyl]-3-(methoxymethyl)benzamide
CID 87006893
3-(chloromethyl)-N-(2-methoxyethoxy)benzamide
CID 82715225
3-carbamothioyl-N-(3,4,5-trifluorophenyl)benzamide
CID 62812174
3-(methoxymethyl)-N-[3-(methylcarbamoyl)phenyl]benzamide
CID 17471157
N-[2-(dimethylamino)ethyl]-3-[[[N-[2-[3-methoxypropyl(methyl)amino]ethyl]-N'-methylcarbamimidoyl]amino]methyl]benzamide
CID 111653518
1-(2,6-difluorophenyl)-2-[3-methoxypropyl(methyl)amino]ethanone
CID 63008925

Frequently Asked Questions

What is the IUPAC name of 3-[2-[3-methoxypropyl(methyl)amino]ethyl]-N-(3,4,5-trifluorophenyl)benzamide?
The IUPAC name of 3-[2-[3-methoxypropyl(methyl)amino]ethyl]-N-(3,4,5-trifluorophenyl)benzamide (CID 134448310) is 3-[2-[3-methoxypropyl(methyl)amino]ethyl]-N-(3,4,5-trifluorophenyl)benzamide.
What is the SMILES notation for 3-[2-[3-methoxypropyl(methyl)amino]ethyl]-N-(3,4,5-trifluorophenyl)benzamide?
The canonical SMILES for 3-[2-[3-methoxypropyl(methyl)amino]ethyl]-N-(3,4,5-trifluorophenyl)benzamide is COCCCN(C)CCc1cccc(C(=O)Nc2cc(F)c(F)c(F)c2)c1.
What is the InChIKey of 3-[2-[3-methoxypropyl(methyl)amino]ethyl]-N-(3,4,5-trifluorophenyl)benzamide?
The InChIKey is PHODUGIQBJRBGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23F3N2O2/c1-25(8-4-10-27-2)9-7-14-5-3-6-15(11-14)20(26)24-16-12-17(21)19(23)18(22)13-16/h3,5-6,11-13H,4,7-10H2,1-2H3,(H,24,26).
What are the key properties of 3-[2-[3-methoxypropyl(methyl)amino]ethyl]-N-(3,4,5-trifluorophenyl)benzamide?
3-[2-[3-methoxypropyl(methyl)amino]ethyl]-N-(3,4,5-trifluorophenyl)benzamide has a molecular weight of 380.41 g/mol, XLogP of 3.87, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[3-methoxypropyl(methyl)amino]ethyl]-N-(3,4,5-trifluorophenyl)benzamide is sourced from PubChem (CID 134448310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).