N-(4,5-dimethoxy-2-methylphenyl)-2-[4-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide

C20H20F3NO3 — CID 134009885

IUPACN-(4,5-dimethoxy-2-methylphenyl)-2-[4-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
SMILESCOc1cc(C)c(NC(=O)C2CC2c2ccc(C(F)(F)F)cc2)cc1OC
InChIInChI=1S/C20H20F3NO3/c1-11-8-17(26-2)18(27-3)10-16(11)24-19(25)15-9-14(15)12-4-6-13(7-5-12)20(21,22)23/h4-8,10,14-15H,9H2,1-3H3,(H,24,25)
InChIKeyVRXVEIFPXMBGLB-UHFFFAOYSA-N
MW379.38 g/mol
LogP4.77
Rot. Bonds5

About N-(4,5-dimethoxy-2-methylphenyl)-2-[4-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide

N-(4,5-dimethoxy-2-methylphenyl)-2-[4-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide (PubChem CID 134009885) has the molecular formula C20H20F3NO3 and a molecular weight of 379.38 g/mol. Its IUPAC name is N-(4,5-dimethoxy-2-methylphenyl)-2-[4-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-(4,5-dimethoxy-2-methylphenyl)-2-[4-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
PubChem CID134009885
Molecular FormulaC20H20F3NO3
Molecular Weight379.38 g/mol
Exact Mass379.14
IUPAC NameN-(4,5-dimethoxy-2-methylphenyl)-2-[4-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
SMILESCOc1cc(C)c(NC(=O)C2CC2c2ccc(C(F)(F)F)cc2)cc1OC
InChIInChI=1S/C20H20F3NO3/c1-11-8-17(26-2)18(27-3)10-16(11)24-19(25)15-9-14(15)12-4-6-13(7-5-12)20(21,22)23/h4-8,10,14-15H,9H2,1-3H3,(H,24,25)
InChIKeyVRXVEIFPXMBGLB-UHFFFAOYSA-N
XLogP4.77
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.38
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-acetamido-4-methoxyphenyl)-2-[4-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 134050960
N-(4-bromo-2,6-dimethylphenyl)-2-[4-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 112835572
2-(4-tert-butylphenyl)-N-(5-chloro-2,4-dimethoxyphenyl)cyclopropane-1-carboxamide
CID 2933931
cis-(1R,2S)-N-(4-fluoro-2-methoxyphenyl)-2-(4-fluorophenyl)cyclopropane-1-carboxamide
CID 32611358
3-[[2-(4-methoxyphenyl)cyclopropanecarbonyl]amino]-4-methylbenzoic acid
CID 84569190
(2R)-N-propyl-2-[4-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 130471039
N-pyridin-4-yl-2-[4-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 134009742
N-(4-iodo-2-methylphenyl)-2-(4-methoxyphenyl)cyclopropane-1-carboxamide
CID 84569194
N-(4,5-dimethoxy-2-methylphenyl)-4-methylpyrrolidine-3-carboxamide
CID 63714118
trans-(1R,2R)-2-(4-chlorophenyl)-N-[4-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 843468
cis-(1S,2R)-N-(2-methoxy-5-methylphenyl)-2-phenylcyclopropane-1-carboxamide
CID 868729
2-(4,5-dimethoxy-2-methylanilino)-N-[4-(trifluoromethyl)phenyl]acetamide
CID 9105343

Frequently Asked Questions

What is the IUPAC name of N-(4,5-dimethoxy-2-methylphenyl)-2-[4-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide?
The IUPAC name of N-(4,5-dimethoxy-2-methylphenyl)-2-[4-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide (CID 134009885) is N-(4,5-dimethoxy-2-methylphenyl)-2-[4-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide.
What is the SMILES notation for N-(4,5-dimethoxy-2-methylphenyl)-2-[4-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide?
The canonical SMILES for N-(4,5-dimethoxy-2-methylphenyl)-2-[4-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide is COc1cc(C)c(NC(=O)C2CC2c2ccc(C(F)(F)F)cc2)cc1OC.
What is the InChIKey of N-(4,5-dimethoxy-2-methylphenyl)-2-[4-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide?
The InChIKey is VRXVEIFPXMBGLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F3NO3/c1-11-8-17(26-2)18(27-3)10-16(11)24-19(25)15-9-14(15)12-4-6-13(7-5-12)20(21,22)23/h4-8,10,14-15H,9H2,1-3H3,(H,24,25).
What are the key properties of N-(4,5-dimethoxy-2-methylphenyl)-2-[4-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide?
N-(4,5-dimethoxy-2-methylphenyl)-2-[4-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide has a molecular weight of 379.38 g/mol, XLogP of 4.77, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dimethoxy-2-methylphenyl)-2-[4-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 134009885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).