1-N-(2,4-difluorophenyl)-1-N'-methyl-1-N'-phenylcyclopropane-1,1-dicarboxamide

C18H16F2N2O2 — CID 108981020

IUPAC1-N-(2,4-difluorophenyl)-1-N'-methyl-1-N'-phenylcyclopropane-1,1-dicarboxamide
SMILESCN(C(=O)C1(C(=O)Nc2ccc(F)cc2F)CC1)c1ccccc1
InChIInChI=1S/C18H16F2N2O2/c1-22(13-5-3-2-4-6-13)17(24)18(9-10-18)16(23)21-15-8-7-12(19)11-14(15)20/h2-8,11H,9-10H2,1H3,(H,21,23)
InChIKeyAVBXUDOQWXUDBY-UHFFFAOYSA-N
MW330.33 g/mol
LogP3.35
Rot. Bonds4

About 1-N-(2,4-difluorophenyl)-1-N'-methyl-1-N'-phenylcyclopropane-1,1-dicarboxamide

1-N-(2,4-difluorophenyl)-1-N'-methyl-1-N'-phenylcyclopropane-1,1-dicarboxamide (PubChem CID 108981020) has the molecular formula C18H16F2N2O2 and a molecular weight of 330.33 g/mol. Its IUPAC name is 1-N-(2,4-difluorophenyl)-1-N'-methyl-1-N'-phenylcyclopropane-1,1-dicarboxamide.

Molecular Properties

Compound Name1-N-(2,4-difluorophenyl)-1-N'-methyl-1-N'-phenylcyclopropane-1,1-dicarboxamide
PubChem CID108981020
Molecular FormulaC18H16F2N2O2
Molecular Weight330.33 g/mol
Exact Mass330.12
IUPAC Name1-N-(2,4-difluorophenyl)-1-N'-methyl-1-N'-phenylcyclopropane-1,1-dicarboxamide
SMILESCN(C(=O)C1(C(=O)Nc2ccc(F)cc2F)CC1)c1ccccc1
InChIInChI=1S/C18H16F2N2O2/c1-22(13-5-3-2-4-6-13)17(24)18(9-10-18)16(23)21-15-8-7-12(19)11-14(15)20/h2-8,11H,9-10H2,1H3,(H,21,23)
InChIKeyAVBXUDOQWXUDBY-UHFFFAOYSA-N
XLogP3.35
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.33
LogP ≤ 53.35
H-Bond Donors ≤ 51
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-(2,4-difluorophenyl)-1-N'-(2-methylphenyl)cyclopropane-1,1-dicarboxamide
CID 108980715
1-N-(2,4-difluorophenyl)-1-N',1-N'-dipropylcyclopropane-1,1-dicarboxamide
CID 108980321
1-N-(2-ethylphenyl)-1-N'-methyl-1-N'-phenylcyclopropane-1,1-dicarboxamide
CID 108980952
1-N'-(2,4-difluorophenyl)cyclopropane-1,1-dicarboxamide
CID 175093639
1-N-[2-chloro-5-(trifluoromethyl)phenyl]-1-N'-methyl-1-N'-phenylcyclopropane-1,1-dicarboxamide
CID 108981000
1-N-(2,5-dimethoxyphenyl)-1-N'-methyl-1-N'-phenylcyclopropane-1,1-dicarboxamide
CID 108980986
1-N-(2,4-difluorophenyl)-1-N'-(1,1-dioxothiolan-3-yl)-1-N'-methylcyclopropane-1,1-dicarboxamide
CID 108978102
1-N'-(2,4-difluorophenyl)-1-N-propylcyclopropane-1,1-dicarboxamide
CID 108970362
4-[(2,4-difluorophenyl)carbamoyl]oxane-4-carboxylic acid
CID 154865208
1-N'-methyl-1-N-(4-phenoxyphenyl)-1-N'-phenylcyclopropane-1,1-dicarboxamide
CID 108981009
1-N'-(2,4-difluorophenyl)-1-N-(3,4-dimethylphenyl)cyclopropane-1,1-dicarboxamide
CID 108981437
3-(2,4-difluoroanilino)-N-methyl-N-phenylpropanamide
CID 109034608

Frequently Asked Questions

What is the IUPAC name of 1-N-(2,4-difluorophenyl)-1-N'-methyl-1-N'-phenylcyclopropane-1,1-dicarboxamide?
The IUPAC name of 1-N-(2,4-difluorophenyl)-1-N'-methyl-1-N'-phenylcyclopropane-1,1-dicarboxamide (CID 108981020) is 1-N-(2,4-difluorophenyl)-1-N'-methyl-1-N'-phenylcyclopropane-1,1-dicarboxamide.
What is the SMILES notation for 1-N-(2,4-difluorophenyl)-1-N'-methyl-1-N'-phenylcyclopropane-1,1-dicarboxamide?
The canonical SMILES for 1-N-(2,4-difluorophenyl)-1-N'-methyl-1-N'-phenylcyclopropane-1,1-dicarboxamide is CN(C(=O)C1(C(=O)Nc2ccc(F)cc2F)CC1)c1ccccc1.
What is the InChIKey of 1-N-(2,4-difluorophenyl)-1-N'-methyl-1-N'-phenylcyclopropane-1,1-dicarboxamide?
The InChIKey is AVBXUDOQWXUDBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F2N2O2/c1-22(13-5-3-2-4-6-13)17(24)18(9-10-18)16(23)21-15-8-7-12(19)11-14(15)20/h2-8,11H,9-10H2,1H3,(H,21,23).
What are the key properties of 1-N-(2,4-difluorophenyl)-1-N'-methyl-1-N'-phenylcyclopropane-1,1-dicarboxamide?
1-N-(2,4-difluorophenyl)-1-N'-methyl-1-N'-phenylcyclopropane-1,1-dicarboxamide has a molecular weight of 330.33 g/mol, XLogP of 3.35, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(2,4-difluorophenyl)-1-N'-methyl-1-N'-phenylcyclopropane-1,1-dicarboxamide is sourced from PubChem (CID 108981020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).