N-[3-(trifluoromethyl)phenyl]-3-(3,4,5-trimethoxyphenyl)propanamide

C19H20F3NO4 — CID 2498594

IUPACN-[3-(trifluoromethyl)phenyl]-3-(3,4,5-trimethoxyphenyl)propanamide
SMILESCOc1cc(CCC(=O)Nc2cccc(C(F)(F)F)c2)cc(OC)c1OC
InChIInChI=1S/C19H20F3NO4/c1-25-15-9-12(10-16(26-2)18(15)27-3)7-8-17(24)23-14-6-4-5-13(11-14)19(20,21)22/h4-6,9-11H,7-8H2,1-3H3,(H,23,24)
InChIKeyYNTOGQLUYIKTMW-UHFFFAOYSA-N
MW383.37 g/mol
LogP4.30
Rot. Bonds7

About N-[3-(trifluoromethyl)phenyl]-3-(3,4,5-trimethoxyphenyl)propanamide

N-[3-(trifluoromethyl)phenyl]-3-(3,4,5-trimethoxyphenyl)propanamide (PubChem CID 2498594) has the molecular formula C19H20F3NO4 and a molecular weight of 383.37 g/mol. Its IUPAC name is N-[3-(trifluoromethyl)phenyl]-3-(3,4,5-trimethoxyphenyl)propanamide.

Molecular Properties

Compound NameN-[3-(trifluoromethyl)phenyl]-3-(3,4,5-trimethoxyphenyl)propanamide
PubChem CID2498594
Molecular FormulaC19H20F3NO4
Molecular Weight383.37 g/mol
Exact Mass383.13
IUPAC NameN-[3-(trifluoromethyl)phenyl]-3-(3,4,5-trimethoxyphenyl)propanamide
SMILESCOc1cc(CCC(=O)Nc2cccc(C(F)(F)F)c2)cc(OC)c1OC
InChIInChI=1S/C19H20F3NO4/c1-25-15-9-12(10-16(26-2)18(15)27-3)7-8-17(24)23-14-6-4-5-13(11-14)19(20,21)22/h4-6,9-11H,7-8H2,1-3H3,(H,23,24)
InChIKeyYNTOGQLUYIKTMW-UHFFFAOYSA-N
XLogP4.30
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.37
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,4,5-Trimethoxybenzanilide
CID 305103
N-(3-acetylphenyl)-3,4,5-trimethoxybenzamide
CID 692750
p-Benzotoluidide, 3,4,5-trimethoxy-
CID 12924
3,4,5-Trimethoxy-N-(2-methoxyphenyl)benzamide
CID 199280
4'-Dimethylamino-3,4,5-trimethoxy benzanilide
CID 43380
3,4,5-Trimethoxy-N-(4-methoxyphenyl)benzamide
CID 364715
2-(Difluoromethoxy)-5-[1-(3,4,5-trimethoxyphenyl)ethenyl]aniline
CID 145951825
5-[2,2-Difluoro-1-(3,4,5-trimethoxyphenyl)ethenyl]-2-methoxyaniline
CID 145959615
N-(3-ethylphenyl)-3,4,5-trimethoxybenzamide
CID 897201
(E)-N-(3-acetylphenyl)-3-(2,3-dimethoxyphenyl)prop-2-enamide
CID 2404472
[1-(4-Ethylanilino)-1-oxopropan-2-yl] 2-(3,4,5-trimethoxyphenyl)acetate
CID 4564616
Bas 09588626
CID 644738

Frequently Asked Questions

What is the IUPAC name of N-[3-(trifluoromethyl)phenyl]-3-(3,4,5-trimethoxyphenyl)propanamide?
The IUPAC name of N-[3-(trifluoromethyl)phenyl]-3-(3,4,5-trimethoxyphenyl)propanamide (CID 2498594) is N-[3-(trifluoromethyl)phenyl]-3-(3,4,5-trimethoxyphenyl)propanamide.
What is the SMILES notation for N-[3-(trifluoromethyl)phenyl]-3-(3,4,5-trimethoxyphenyl)propanamide?
The canonical SMILES for N-[3-(trifluoromethyl)phenyl]-3-(3,4,5-trimethoxyphenyl)propanamide is COc1cc(CCC(=O)Nc2cccc(C(F)(F)F)c2)cc(OC)c1OC.
What is the InChIKey of N-[3-(trifluoromethyl)phenyl]-3-(3,4,5-trimethoxyphenyl)propanamide?
The InChIKey is YNTOGQLUYIKTMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F3NO4/c1-25-15-9-12(10-16(26-2)18(15)27-3)7-8-17(24)23-14-6-4-5-13(11-14)19(20,21)22/h4-6,9-11H,7-8H2,1-3H3,(H,23,24).
What are the key properties of N-[3-(trifluoromethyl)phenyl]-3-(3,4,5-trimethoxyphenyl)propanamide?
N-[3-(trifluoromethyl)phenyl]-3-(3,4,5-trimethoxyphenyl)propanamide has a molecular weight of 383.37 g/mol, XLogP of 4.30, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(trifluoromethyl)phenyl]-3-(3,4,5-trimethoxyphenyl)propanamide is sourced from PubChem (CID 2498594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).