N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]-4-(trifluoromethoxy)benzamide

C20H20F3NO4 — CID 33078482

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

About N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]-4-(trifluoromethoxy)benzamide

N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]-4-(trifluoromethoxy)benzamide (PubChem CID 33078482) has the molecular formula C20H20F3NO4 and a molecular weight of 395.38 g/mol. Its IUPAC name is N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]-4-(trifluoromethoxy)benzamide.

Molecular Properties

Compound NameN-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]-4-(trifluoromethoxy)benzamide
PubChem CID33078482
Molecular FormulaC20H20F3NO4
Molecular Weight395.38 g/mol
Exact Mass395.13
IUPAC NameN-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]-4-(trifluoromethoxy)benzamide
SMILESCOc1ccc(OC)c(CN(C(=O)c2ccc(OC(F)(F)F)cc2)C2CC2)c1
InChIInChI=1S/C20H20F3NO4/c1-26-17-9-10-18(27-2)14(11-17)12-24(15-5-6-15)19(25)13-3-7-16(8-4-13)28-20(21,22)23/h3-4,7-11,15H,5-6,12H2,1-2H3
InChIKeyLXAQEPKDFAQXRI-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-[(2,4-dimethoxyphenyl)methyl]-4-(trifluoromethoxy)benzamide
CID 32588865
N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]-3-fluoro-4-methoxybenzamide
CID 33081027
(E)-N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]-3-[4-(trifluoromethoxy)phenyl]prop-2-enamide
CID 33080396
N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]naphthalene-2-carboxamide
CID 33078186
N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]-4-nitrobenzamide
CID 33078016
N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]-4-(ethylsulfanylmethyl)benzamide
CID 55872323
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
2-[cyclopropyl-[(2,5-dimethoxyphenyl)methyl]carbamoyl]pyridine-4-carboxylic acid
CID 122055177
N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]-2,4-difluorobenzamide
CID 33078367
4-[[[cyclopropyl-[(2,5-dimethoxyphenyl)methyl]carbamoyl]amino]methyl]benzoic acid
CID 122019601
N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]pyrazine-2-carboxamide
CID 33078253

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]-4-(trifluoromethoxy)benzamide?
The IUPAC name of N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]-4-(trifluoromethoxy)benzamide (CID 33078482) is N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]-4-(trifluoromethoxy)benzamide.
What is the SMILES notation for N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]-4-(trifluoromethoxy)benzamide?
The canonical SMILES for N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]-4-(trifluoromethoxy)benzamide is COc1ccc(OC)c(CN(C(=O)c2ccc(OC(F)(F)F)cc2)C2CC2)c1.
What is the InChIKey of N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]-4-(trifluoromethoxy)benzamide?
The InChIKey is LXAQEPKDFAQXRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F3NO4/c1-26-17-9-10-18(27-2)14(11-17)12-24(15-5-6-15)19(25)13-3-7-16(8-4-13)28-20(21,22)23/h3-4,7-11,15H,5-6,12H2,1-2H3.
What are the key properties of N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]-4-(trifluoromethoxy)benzamide?
N-cyclopropyl-N-[(2,5-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-[(2,5-dimethoxyphenyl)methyl]-4-(trifluoromethoxy)benzamide is sourced from PubChem (CID 33078482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).