1-N-[(4-methylphenyl)methyl]-1-N'-[4-(trifluoromethyl)phenyl]cyclopropane-1,1-dicarboxamide

C20H19F3N2O2 — CID 108975302

IUPAC1-N-[(4-methylphenyl)methyl]-1-N'-[4-(trifluoromethyl)phenyl]cyclopropane-1,1-dicarboxamide
SMILESCc1ccc(CNC(=O)C2(C(=O)Nc3ccc(C(F)(F)F)cc3)CC2)cc1
InChIInChI=1S/C20H19F3N2O2/c1-13-2-4-14(5-3-13)12-24-17(26)19(10-11-19)18(27)25-16-8-6-15(7-9-16)20(21,22)23/h2-9H,10-12H2,1H3,(H,24,26)(H,25,27)
InChIKeyLNDLMGBOCIXOSD-UHFFFAOYSA-N
MW376.38 g/mol
LogP4.05
Rot. Bonds5

About 1-N-[(4-methylphenyl)methyl]-1-N'-[4-(trifluoromethyl)phenyl]cyclopropane-1,1-dicarboxamide

1-N-[(4-methylphenyl)methyl]-1-N'-[4-(trifluoromethyl)phenyl]cyclopropane-1,1-dicarboxamide (PubChem CID 108975302) has the molecular formula C20H19F3N2O2 and a molecular weight of 376.38 g/mol. Its IUPAC name is 1-N-[(4-methylphenyl)methyl]-1-N'-[4-(trifluoromethyl)phenyl]cyclopropane-1,1-dicarboxamide.

Molecular Properties

Compound Name1-N-[(4-methylphenyl)methyl]-1-N'-[4-(trifluoromethyl)phenyl]cyclopropane-1,1-dicarboxamide
PubChem CID108975302
Molecular FormulaC20H19F3N2O2
Molecular Weight376.38 g/mol
Exact Mass376.14
IUPAC Name1-N-[(4-methylphenyl)methyl]-1-N'-[4-(trifluoromethyl)phenyl]cyclopropane-1,1-dicarboxamide
SMILESCc1ccc(CNC(=O)C2(C(=O)Nc3ccc(C(F)(F)F)cc3)CC2)cc1
InChIInChI=1S/C20H19F3N2O2/c1-13-2-4-14(5-3-13)12-24-17(26)19(10-11-19)18(27)25-16-8-6-15(7-9-16)20(21,22)23/h2-9H,10-12H2,1H3,(H,24,26)(H,25,27)
InChIKeyLNDLMGBOCIXOSD-UHFFFAOYSA-N
XLogP4.05
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.38
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

1-N'-(2,5-dimethylphenyl)-1-N-[4-(trifluoromethyl)phenyl]cyclopropane-1,1-dicarboxamide
CID 108981339
1-N'-(3-methylphenyl)-1-N-[4-(trifluoromethyl)phenyl]cyclopropane-1,1-dicarboxamide
CID 108980789
1-N'-(4-fluorophenyl)-1-N-[4-(trifluoromethyl)phenyl]cyclopropane-1,1-dicarboxamide
CID 108982390
1-N'-(4-chlorophenyl)-1-N-[(4-chlorophenyl)methyl]cyclopropane-1,1-dicarboxamide
CID 108976103
1-N'-(4-chlorophenyl)-1-N-[4-(trifluoromethyl)phenyl]cyclopropane-1,1-dicarboxamide
CID 108982590
1-N-[(4-fluorophenyl)methyl]-1-N'-[3-(trifluoromethyl)phenyl]cyclopropane-1,1-dicarboxamide
CID 108975875
2-(4-methylphenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
CID 27052812
1-N'-(3-methoxyphenyl)-1-N-[(4-methylphenyl)methyl]cyclopropane-1,1-dicarboxamide
CID 108975290
1-N-[2-(dimethylamino)ethyl]-1-N'-(4-methylphenyl)cyclopropane-1,1-dicarboxamide
CID 108973473
1-N'-(2,3-dimethylphenyl)-1-N-[(4-methylphenyl)methyl]cyclopropane-1,1-dicarboxamide
CID 108975263
1-N-benzyl-1-N'-(4-methoxyphenyl)cyclopropane-1,1-dicarboxamide
CID 108974834
1-N-[2-(cyclohexen-1-yl)ethyl]-1-N'-[4-(trifluoromethyl)phenyl]cyclopropane-1,1-dicarboxamide
CID 108972624

Frequently Asked Questions

What is the IUPAC name of 1-N-[(4-methylphenyl)methyl]-1-N'-[4-(trifluoromethyl)phenyl]cyclopropane-1,1-dicarboxamide?
The IUPAC name of 1-N-[(4-methylphenyl)methyl]-1-N'-[4-(trifluoromethyl)phenyl]cyclopropane-1,1-dicarboxamide (CID 108975302) is 1-N-[(4-methylphenyl)methyl]-1-N'-[4-(trifluoromethyl)phenyl]cyclopropane-1,1-dicarboxamide.
What is the SMILES notation for 1-N-[(4-methylphenyl)methyl]-1-N'-[4-(trifluoromethyl)phenyl]cyclopropane-1,1-dicarboxamide?
The canonical SMILES for 1-N-[(4-methylphenyl)methyl]-1-N'-[4-(trifluoromethyl)phenyl]cyclopropane-1,1-dicarboxamide is Cc1ccc(CNC(=O)C2(C(=O)Nc3ccc(C(F)(F)F)cc3)CC2)cc1.
What is the InChIKey of 1-N-[(4-methylphenyl)methyl]-1-N'-[4-(trifluoromethyl)phenyl]cyclopropane-1,1-dicarboxamide?
The InChIKey is LNDLMGBOCIXOSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F3N2O2/c1-13-2-4-14(5-3-13)12-24-17(26)19(10-11-19)18(27)25-16-8-6-15(7-9-16)20(21,22)23/h2-9H,10-12H2,1H3,(H,24,26)(H,25,27).
What are the key properties of 1-N-[(4-methylphenyl)methyl]-1-N'-[4-(trifluoromethyl)phenyl]cyclopropane-1,1-dicarboxamide?
1-N-[(4-methylphenyl)methyl]-1-N'-[4-(trifluoromethyl)phenyl]cyclopropane-1,1-dicarboxamide has a molecular weight of 376.38 g/mol, XLogP of 4.05, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[(4-methylphenyl)methyl]-1-N'-[4-(trifluoromethyl)phenyl]cyclopropane-1,1-dicarboxamide is sourced from PubChem (CID 108975302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).