1-N-ethyl-1-N-(3-methylphenyl)-2-N-[2-(trifluoromethyl)phenyl]cyclopropane-1,2-dicarboxamide

C21H21F3N2O2 — CID 109143725

IUPAC1-N-ethyl-1-N-(3-methylphenyl)-2-N-[2-(trifluoromethyl)phenyl]cyclopropane-1,2-dicarboxamide
SMILESCCN(C(=O)C1CC1C(=O)Nc1ccccc1C(F)(F)F)c1cccc(C)c1
InChIInChI=1S/C21H21F3N2O2/c1-3-26(14-8-6-7-13(2)11-14)20(28)16-12-15(16)19(27)25-18-10-5-4-9-17(18)21(22,23)24/h4-11,15-16H,3,12H2,1-2H3,(H,25,27)
InChIKeyNMILTUJFSCQWCO-UHFFFAOYSA-N
MW390.41 g/mol
LogP4.64
Rot. Bonds5

About 1-N-ethyl-1-N-(3-methylphenyl)-2-N-[2-(trifluoromethyl)phenyl]cyclopropane-1,2-dicarboxamide

1-N-ethyl-1-N-(3-methylphenyl)-2-N-[2-(trifluoromethyl)phenyl]cyclopropane-1,2-dicarboxamide (PubChem CID 109143725) has the molecular formula C21H21F3N2O2 and a molecular weight of 390.41 g/mol. Its IUPAC name is 1-N-ethyl-1-N-(3-methylphenyl)-2-N-[2-(trifluoromethyl)phenyl]cyclopropane-1,2-dicarboxamide.

Molecular Properties

Compound Name1-N-ethyl-1-N-(3-methylphenyl)-2-N-[2-(trifluoromethyl)phenyl]cyclopropane-1,2-dicarboxamide
PubChem CID109143725
Molecular FormulaC21H21F3N2O2
Molecular Weight390.41 g/mol
Exact Mass390.16
IUPAC Name1-N-ethyl-1-N-(3-methylphenyl)-2-N-[2-(trifluoromethyl)phenyl]cyclopropane-1,2-dicarboxamide
SMILESCCN(C(=O)C1CC1C(=O)Nc1ccccc1C(F)(F)F)c1cccc(C)c1
InChIInChI=1S/C21H21F3N2O2/c1-3-26(14-8-6-7-13(2)11-14)20(28)16-12-15(16)19(27)25-18-10-5-4-9-17(18)21(22,23)24/h4-11,15-16H,3,12H2,1-2H3,(H,25,27)
InChIKeyNMILTUJFSCQWCO-UHFFFAOYSA-N
XLogP4.64
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.41
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-N-(2-chlorophenyl)-1-N-ethyl-1-N-(3-methylphenyl)cyclopropane-1,2-dicarboxamide
CID 109142859
2-N-(3,4-dimethylphenyl)-1-N-ethyl-1-N-(3-methylphenyl)cyclopropane-1,2-dicarboxamide
CID 109141736
2-N-butyl-1-N-ethyl-1-N-(3-methylphenyl)cyclopropane-1,2-dicarboxamide
CID 109131399
1-N-ethyl-2-N-(2-ethylphenyl)-1-N-phenylcyclopropane-1,2-dicarboxamide
CID 109141985
1-N-ethyl-2-N-(3-methylbutyl)-1-N-(3-methylphenyl)cyclopropane-1,2-dicarboxamide
CID 109139998
2-N-[3-(dimethylamino)propyl]-1-N-ethyl-1-N-(3-methylphenyl)cyclopropane-1,2-dicarboxamide
CID 109134131
1-N-ethyl-2-N-[2-(2-methoxyphenyl)ethyl]-1-N-(3-methylphenyl)cyclopropane-1,2-dicarboxamide
CID 109137883
1-N-ethyl-1-N-(3-methylphenyl)-2-N-(pyridin-4-ylmethyl)cyclopropane-1,2-dicarboxamide
CID 109137320
1-N-(2,3-dimethylphenyl)-2-N-[2-(trifluoromethyl)phenyl]cyclopropane-1,2-dicarboxamide
CID 109141940
1-N-ethyl-1-N-(3-methylphenyl)-2-N-(4-propan-2-yloxyphenyl)cyclopropane-1,2-dicarboxamide
CID 109143643
N-(2-tert-butylphenyl)-N'-ethyl-N'-(3-methylphenyl)oxamide
CID 108530217
1-N-ethyl-2-N-(2-ethyl-6-methylphenyl)-1-N-phenylcyclopropane-1,2-dicarboxamide
CID 109142141

Frequently Asked Questions

What is the IUPAC name of 1-N-ethyl-1-N-(3-methylphenyl)-2-N-[2-(trifluoromethyl)phenyl]cyclopropane-1,2-dicarboxamide?
The IUPAC name of 1-N-ethyl-1-N-(3-methylphenyl)-2-N-[2-(trifluoromethyl)phenyl]cyclopropane-1,2-dicarboxamide (CID 109143725) is 1-N-ethyl-1-N-(3-methylphenyl)-2-N-[2-(trifluoromethyl)phenyl]cyclopropane-1,2-dicarboxamide.
What is the SMILES notation for 1-N-ethyl-1-N-(3-methylphenyl)-2-N-[2-(trifluoromethyl)phenyl]cyclopropane-1,2-dicarboxamide?
The canonical SMILES for 1-N-ethyl-1-N-(3-methylphenyl)-2-N-[2-(trifluoromethyl)phenyl]cyclopropane-1,2-dicarboxamide is CCN(C(=O)C1CC1C(=O)Nc1ccccc1C(F)(F)F)c1cccc(C)c1.
What is the InChIKey of 1-N-ethyl-1-N-(3-methylphenyl)-2-N-[2-(trifluoromethyl)phenyl]cyclopropane-1,2-dicarboxamide?
The InChIKey is NMILTUJFSCQWCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21F3N2O2/c1-3-26(14-8-6-7-13(2)11-14)20(28)16-12-15(16)19(27)25-18-10-5-4-9-17(18)21(22,23)24/h4-11,15-16H,3,12H2,1-2H3,(H,25,27).
What are the key properties of 1-N-ethyl-1-N-(3-methylphenyl)-2-N-[2-(trifluoromethyl)phenyl]cyclopropane-1,2-dicarboxamide?
1-N-ethyl-1-N-(3-methylphenyl)-2-N-[2-(trifluoromethyl)phenyl]cyclopropane-1,2-dicarboxamide has a molecular weight of 390.41 g/mol, XLogP of 4.64, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-ethyl-1-N-(3-methylphenyl)-2-N-[2-(trifluoromethyl)phenyl]cyclopropane-1,2-dicarboxamide is sourced from PubChem (CID 109143725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).