1-N-(3,4-dimethylphenyl)-2-N-[(2-fluorophenyl)methyl]cyclopropane-1,2-dicarboxamide

C20H21FN2O2 — CID 109135936

IUPAC1-N-(3,4-dimethylphenyl)-2-N-[(2-fluorophenyl)methyl]cyclopropane-1,2-dicarboxamide
SMILESCc1ccc(NC(=O)C2CC2C(=O)NCc2ccccc2F)cc1C
InChIInChI=1S/C20H21FN2O2/c1-12-7-8-15(9-13(12)2)23-20(25)17-10-16(17)19(24)22-11-14-5-3-4-6-18(14)21/h3-9,16-17H,10-11H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyYPVNNTWWZYXUEZ-UHFFFAOYSA-N
MW340.40 g/mol
LogP3.33
Rot. Bonds5

About 1-N-(3,4-dimethylphenyl)-2-N-[(2-fluorophenyl)methyl]cyclopropane-1,2-dicarboxamide

1-N-(3,4-dimethylphenyl)-2-N-[(2-fluorophenyl)methyl]cyclopropane-1,2-dicarboxamide (PubChem CID 109135936) has the molecular formula C20H21FN2O2 and a molecular weight of 340.40 g/mol. Its IUPAC name is 1-N-(3,4-dimethylphenyl)-2-N-[(2-fluorophenyl)methyl]cyclopropane-1,2-dicarboxamide.

Molecular Properties

Compound Name1-N-(3,4-dimethylphenyl)-2-N-[(2-fluorophenyl)methyl]cyclopropane-1,2-dicarboxamide
PubChem CID109135936
Molecular FormulaC20H21FN2O2
Molecular Weight340.40 g/mol
Exact Mass340.16
IUPAC Name1-N-(3,4-dimethylphenyl)-2-N-[(2-fluorophenyl)methyl]cyclopropane-1,2-dicarboxamide
SMILESCc1ccc(NC(=O)C2CC2C(=O)NCc2ccccc2F)cc1C
InChIInChI=1S/C20H21FN2O2/c1-12-7-8-15(9-13(12)2)23-20(25)17-10-16(17)19(24)22-11-14-5-3-4-6-18(14)21/h3-9,16-17H,10-11H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyYPVNNTWWZYXUEZ-UHFFFAOYSA-N
XLogP3.33
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.40
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-N-(3-cyanophenyl)-2-N-[(2-fluorophenyl)methyl]cyclopropane-1,2-dicarboxamide
CID 109136011
1-N-(2-fluorophenyl)-2-N-[(2-fluorophenyl)methyl]cyclopropane-1,2-dicarboxamide
CID 109135951
2-N-[(2-chlorophenyl)methyl]-1-N-(3,4-difluorophenyl)cyclopropane-1,2-dicarboxamide
CID 109136278
1-N-(3,4-dimethylphenyl)-2-N-(3-fluorophenyl)cyclopropane-1,2-dicarboxamide
CID 109141714
1-N-[2,6-di(propan-2-yl)phenyl]-2-N-[(2-fluorophenyl)methyl]cyclopropane-1,2-dicarboxamide
CID 109135996
1-N-(3-acetylphenyl)-2-N-[2-(2-fluorophenyl)ethyl]cyclopropane-1,2-dicarboxamide
CID 109137659
1-N-(2,4-difluorophenyl)-2-N-(3,4-dimethylphenyl)cyclopropane-1,2-dicarboxamide
CID 109141721
4-N-(3,5-dimethylphenyl)-1-N-[(2-fluorophenyl)methyl]cyclohexane-1,4-dicarboxamide
CID 109148377
1-N-(4-acetamidophenyl)-2-N-[(2-methoxyphenyl)methyl]cyclopropane-1,2-dicarboxamide
CID 109136494
1-N-(4-ethoxyphenyl)-2-N-[(2-methylphenyl)methyl]cyclopropane-1,2-dicarboxamide
CID 109135235
2-N-[2-(2-fluorophenyl)ethyl]-1-N-[3-(trifluoromethyl)phenyl]cyclopropane-1,2-dicarboxamide
CID 109137657
N-[(2-fluorophenyl)methyl]-2-(pyrrolidine-1-carbonyl)cyclopropane-1-carboxamide
CID 109131815

Frequently Asked Questions

What is the IUPAC name of 1-N-(3,4-dimethylphenyl)-2-N-[(2-fluorophenyl)methyl]cyclopropane-1,2-dicarboxamide?
The IUPAC name of 1-N-(3,4-dimethylphenyl)-2-N-[(2-fluorophenyl)methyl]cyclopropane-1,2-dicarboxamide (CID 109135936) is 1-N-(3,4-dimethylphenyl)-2-N-[(2-fluorophenyl)methyl]cyclopropane-1,2-dicarboxamide.
What is the SMILES notation for 1-N-(3,4-dimethylphenyl)-2-N-[(2-fluorophenyl)methyl]cyclopropane-1,2-dicarboxamide?
The canonical SMILES for 1-N-(3,4-dimethylphenyl)-2-N-[(2-fluorophenyl)methyl]cyclopropane-1,2-dicarboxamide is Cc1ccc(NC(=O)C2CC2C(=O)NCc2ccccc2F)cc1C.
What is the InChIKey of 1-N-(3,4-dimethylphenyl)-2-N-[(2-fluorophenyl)methyl]cyclopropane-1,2-dicarboxamide?
The InChIKey is YPVNNTWWZYXUEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN2O2/c1-12-7-8-15(9-13(12)2)23-20(25)17-10-16(17)19(24)22-11-14-5-3-4-6-18(14)21/h3-9,16-17H,10-11H2,1-2H3,(H,22,24)(H,23,25).
What are the key properties of 1-N-(3,4-dimethylphenyl)-2-N-[(2-fluorophenyl)methyl]cyclopropane-1,2-dicarboxamide?
1-N-(3,4-dimethylphenyl)-2-N-[(2-fluorophenyl)methyl]cyclopropane-1,2-dicarboxamide has a molecular weight of 340.40 g/mol, XLogP of 3.33, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(3,4-dimethylphenyl)-2-N-[(2-fluorophenyl)methyl]cyclopropane-1,2-dicarboxamide is sourced from PubChem (CID 109135936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).