N-cyclopropyl-N-[(2,4-dimethoxyphenyl)methyl]-4-(trifluoromethoxy)benzamide

C20H20F3NO4 — CID 32588865

IUPACN-cyclopropyl-N-[(2,4-dimethoxyphenyl)methyl]-4-(trifluoromethoxy)benzamide
SMILESCOc1ccc(CN(C(=O)c2ccc(OC(F)(F)F)cc2)C2CC2)c(OC)c1
InChIInChI=1S/C20H20F3NO4/c1-26-17-10-5-14(18(11-17)27-2)12-24(15-6-7-15)19(25)13-3-8-16(9-4-13)28-20(21,22)23/h3-5,8-11,15H,6-7,12H2,1-2H3
InChIKeyZSWUBZSYWXALBP-UHFFFAOYSA-N
MW395.38 g/mol
LogP4.41
Rot. Bonds7

About N-cyclopropyl-N-[(2,4-dimethoxyphenyl)methyl]-4-(trifluoromethoxy)benzamide

N-cyclopropyl-N-[(2,4-dimethoxyphenyl)methyl]-4-(trifluoromethoxy)benzamide (PubChem CID 32588865) has the molecular formula C20H20F3NO4 and a molecular weight of 395.38 g/mol. Its IUPAC name is N-cyclopropyl-N-[(2,4-dimethoxyphenyl)methyl]-4-(trifluoromethoxy)benzamide.

Molecular Properties

Compound NameN-cyclopropyl-N-[(2,4-dimethoxyphenyl)methyl]-4-(trifluoromethoxy)benzamide
PubChem CID32588865
Molecular FormulaC20H20F3NO4
Molecular Weight395.38 g/mol
Exact Mass395.13
IUPAC NameN-cyclopropyl-N-[(2,4-dimethoxyphenyl)methyl]-4-(trifluoromethoxy)benzamide
SMILESCOc1ccc(CN(C(=O)c2ccc(OC(F)(F)F)cc2)C2CC2)c(OC)c1
InChIInChI=1S/C20H20F3NO4/c1-26-17-10-5-14(18(11-17)27-2)12-24(15-6-7-15)19(25)13-3-8-16(9-4-13)28-20(21,22)23/h3-5,8-11,15H,6-7,12H2,1-2H3
InChIKeyZSWUBZSYWXALBP-UHFFFAOYSA-N
XLogP4.41
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.38
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]-4-(trifluoromethoxy)benzamide
CID 33078482
(E)-N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]-3-[4-(trifluoromethoxy)phenyl]prop-2-enamide
CID 33080396
N-cyclopropyl-N-[(2,4-dimethoxyphenyl)methyl]-2,4-dimethylbenzamide
CID 33032868
N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]-3-fluoro-4-methoxybenzamide
CID 33081027
N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]naphthalene-2-carboxamide
CID 33078186
N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]-4-nitrobenzamide
CID 33078016
2-[(2,4-dimethoxyphenyl)methyl-methylamino]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 2698960
N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]-4-(ethylsulfanylmethyl)benzamide
CID 55872323
2-(2,4-dimethoxyphenyl)-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 9404556
N-(cyanomethyl)-N-cyclopropyl-4-(trifluoromethoxy)benzamide
CID 51093391
N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]-2-(trifluoromethyl)benzamide
CID 47024721
N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide
CID 33081136

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[(2,4-dimethoxyphenyl)methyl]-4-(trifluoromethoxy)benzamide?
The IUPAC name of N-cyclopropyl-N-[(2,4-dimethoxyphenyl)methyl]-4-(trifluoromethoxy)benzamide (CID 32588865) is N-cyclopropyl-N-[(2,4-dimethoxyphenyl)methyl]-4-(trifluoromethoxy)benzamide.
What is the SMILES notation for N-cyclopropyl-N-[(2,4-dimethoxyphenyl)methyl]-4-(trifluoromethoxy)benzamide?
The canonical SMILES for N-cyclopropyl-N-[(2,4-dimethoxyphenyl)methyl]-4-(trifluoromethoxy)benzamide is COc1ccc(CN(C(=O)c2ccc(OC(F)(F)F)cc2)C2CC2)c(OC)c1.
What is the InChIKey of N-cyclopropyl-N-[(2,4-dimethoxyphenyl)methyl]-4-(trifluoromethoxy)benzamide?
The InChIKey is ZSWUBZSYWXALBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F3NO4/c1-26-17-10-5-14(18(11-17)27-2)12-24(15-6-7-15)19(25)13-3-8-16(9-4-13)28-20(21,22)23/h3-5,8-11,15H,6-7,12H2,1-2H3.
What are the key properties of N-cyclopropyl-N-[(2,4-dimethoxyphenyl)methyl]-4-(trifluoromethoxy)benzamide?
N-cyclopropyl-N-[(2,4-dimethoxyphenyl)methyl]-4-(trifluoromethoxy)benzamide has a molecular weight of 395.38 g/mol, XLogP of 4.41, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-[(2,4-dimethoxyphenyl)methyl]-4-(trifluoromethoxy)benzamide is sourced from PubChem (CID 32588865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).