4-cyclopropyl-2-[2-methoxy-4-(trifluoromethoxy)phenoxy]-6-methylbenzamide

C19H18F3NO4 — CID 154645531

IUPAC4-cyclopropyl-2-[2-methoxy-4-(trifluoromethoxy)phenoxy]-6-methylbenzamide
SMILESCOc1cc(OC(F)(F)F)ccc1Oc1cc(C2CC2)cc(C)c1C(N)=O
InChIInChI=1S/C19H18F3NO4/c1-10-7-12(11-3-4-11)8-16(17(10)18(23)24)26-14-6-5-13(9-15(14)25-2)27-19(20,21)22/h5-9,11H,3-4H2,1-2H3,(H2,23,24)
InChIKeyVEBAUQSBVWBLGL-UHFFFAOYSA-N
MW381.35 g/mol
LogP4.67
Rot. Bonds6

About 4-cyclopropyl-2-[2-methoxy-4-(trifluoromethoxy)phenoxy]-6-methylbenzamide

4-cyclopropyl-2-[2-methoxy-4-(trifluoromethoxy)phenoxy]-6-methylbenzamide (PubChem CID 154645531) has the molecular formula C19H18F3NO4 and a molecular weight of 381.35 g/mol. Its IUPAC name is 4-cyclopropyl-2-[2-methoxy-4-(trifluoromethoxy)phenoxy]-6-methylbenzamide.

Molecular Properties

Compound Name4-cyclopropyl-2-[2-methoxy-4-(trifluoromethoxy)phenoxy]-6-methylbenzamide
PubChem CID154645531
Molecular FormulaC19H18F3NO4
Molecular Weight381.35 g/mol
Exact Mass381.12
IUPAC Name4-cyclopropyl-2-[2-methoxy-4-(trifluoromethoxy)phenoxy]-6-methylbenzamide
SMILESCOc1cc(OC(F)(F)F)ccc1Oc1cc(C2CC2)cc(C)c1C(N)=O
InChIInChI=1S/C19H18F3NO4/c1-10-7-12(11-3-4-11)8-16(17(10)18(23)24)26-14-6-5-13(9-15(14)25-2)27-19(20,21)22/h5-9,11H,3-4H2,1-2H3,(H2,23,24)
InChIKeyVEBAUQSBVWBLGL-UHFFFAOYSA-N
XLogP4.67
TPSA70.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.35
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[2-fluoro-6-[2-methoxy-4-(trifluoromethoxy)phenoxy]-4-[4-(trifluoromethyl)cyclohexyl]benzoyl]amino]pyridine-2-carboxamide
CID 154645283
1,2-dimethoxy-4-(trifluoromethoxy)benzene
CID 58342037
5-tert-butyl-3-[2-methoxy-4-(trifluoromethoxy)phenoxy]pyridine-2-carboxamide
CID 154645452
2,4-difluoro-6-[2-methoxy-4-(trifluoromethoxy)phenoxy]benzoic acid
CID 154645121
5-cyclopropyl-3-[2-methoxy-4-(trifluoromethoxy)phenoxy]-2-methyl-6-(trifluoromethyl)pyridine
CID 154644952
N-(3-carbamoyl-4-fluorophenyl)-2-cyclopropyl-3-fluoro-5-[2-methoxy-4-(trifluoromethoxy)phenoxy]pyridine-4-carboxamide
CID 137406862
methyl 3-methoxy-5-[2-methoxy-4-(trifluoromethoxy)phenoxy]pyridine-4-carboxylate
CID 137406864
4-(difluoromethoxy)-2-fluoro-6-[2-methoxy-4-(trifluoromethoxy)phenoxy]benzoic acid
CID 137406794
4-cyclopropyl-2-[2-methoxy-4-(trifluoromethoxy)phenoxy]-5-(trifluoromethyl)benzaldehyde
CID 137406486
4-[[4-chloro-2-fluoro-6-[2-methoxy-4-(trifluoromethoxy)phenoxy]benzoyl]amino]-5-methylpyridine-2-carboxamide
CID 137406813
4-[[3-chloro-2-fluoro-6-[2-methoxy-4-(trifluoromethoxy)phenoxy]benzoyl]amino]-5-methylpyridine-2-carboxamide
CID 137406601
4-cyclopropyl-5-fluoro-2-[2-methoxy-4-(trifluoromethoxy)phenoxy]-N-pyridin-4-ylbenzamide
CID 137408801

Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-2-[2-methoxy-4-(trifluoromethoxy)phenoxy]-6-methylbenzamide?
The IUPAC name of 4-cyclopropyl-2-[2-methoxy-4-(trifluoromethoxy)phenoxy]-6-methylbenzamide (CID 154645531) is 4-cyclopropyl-2-[2-methoxy-4-(trifluoromethoxy)phenoxy]-6-methylbenzamide.
What is the SMILES notation for 4-cyclopropyl-2-[2-methoxy-4-(trifluoromethoxy)phenoxy]-6-methylbenzamide?
The canonical SMILES for 4-cyclopropyl-2-[2-methoxy-4-(trifluoromethoxy)phenoxy]-6-methylbenzamide is COc1cc(OC(F)(F)F)ccc1Oc1cc(C2CC2)cc(C)c1C(N)=O.
What is the InChIKey of 4-cyclopropyl-2-[2-methoxy-4-(trifluoromethoxy)phenoxy]-6-methylbenzamide?
The InChIKey is VEBAUQSBVWBLGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F3NO4/c1-10-7-12(11-3-4-11)8-16(17(10)18(23)24)26-14-6-5-13(9-15(14)25-2)27-19(20,21)22/h5-9,11H,3-4H2,1-2H3,(H2,23,24).
What are the key properties of 4-cyclopropyl-2-[2-methoxy-4-(trifluoromethoxy)phenoxy]-6-methylbenzamide?
4-cyclopropyl-2-[2-methoxy-4-(trifluoromethoxy)phenoxy]-6-methylbenzamide has a molecular weight of 381.35 g/mol, XLogP of 4.67, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-2-[2-methoxy-4-(trifluoromethoxy)phenoxy]-6-methylbenzamide is sourced from PubChem (CID 154645531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).