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

C19H16FN3O2 — CID 109136011

IUPAC1-N-(3-cyanophenyl)-2-N-[(2-fluorophenyl)methyl]cyclopropane-1,2-dicarboxamide
SMILESN#Cc1cccc(NC(=O)C2CC2C(=O)NCc2ccccc2F)c1
InChIInChI=1S/C19H16FN3O2/c20-17-7-2-1-5-13(17)11-22-18(24)15-9-16(15)19(25)23-14-6-3-4-12(8-14)10-21/h1-8,15-16H,9,11H2,(H,22,24)(H,23,25)
InChIKeyQNCAOZREXGIOBQ-UHFFFAOYSA-N
MW337.35 g/mol
LogP2.59
Rot. Bonds5

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

1-N-(3-cyanophenyl)-2-N-[(2-fluorophenyl)methyl]cyclopropane-1,2-dicarboxamide (PubChem CID 109136011) has the molecular formula C19H16FN3O2 and a molecular weight of 337.35 g/mol. Its IUPAC name is 1-N-(3-cyanophenyl)-2-N-[(2-fluorophenyl)methyl]cyclopropane-1,2-dicarboxamide.

Molecular Properties

Compound Name1-N-(3-cyanophenyl)-2-N-[(2-fluorophenyl)methyl]cyclopropane-1,2-dicarboxamide
PubChem CID109136011
Molecular FormulaC19H16FN3O2
Molecular Weight337.35 g/mol
Exact Mass337.12
IUPAC Name1-N-(3-cyanophenyl)-2-N-[(2-fluorophenyl)methyl]cyclopropane-1,2-dicarboxamide
SMILESN#Cc1cccc(NC(=O)C2CC2C(=O)NCc2ccccc2F)c1
InChIInChI=1S/C19H16FN3O2/c20-17-7-2-1-5-13(17)11-22-18(24)15-9-16(15)19(25)23-14-6-3-4-12(8-14)10-21/h1-8,15-16H,9,11H2,(H,22,24)(H,23,25)
InChIKeyQNCAOZREXGIOBQ-UHFFFAOYSA-N
XLogP2.59
TPSA81.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.35
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-N-(3,4-dimethylphenyl)-2-N-[(2-fluorophenyl)methyl]cyclopropane-1,2-dicarboxamide
CID 109135936
1-N-(3-cyanophenyl)-2-N-propylcyclopropane-1,2-dicarboxamide
CID 109130608
4-N-(3-cyanophenyl)-1-N-[2-(2-fluorophenyl)ethyl]cyclohexane-1,4-dicarboxamide
CID 109149090
1-N-(2-fluorophenyl)-2-N-[(2-fluorophenyl)methyl]cyclopropane-1,2-dicarboxamide
CID 109135951
1-N-(3-cyanophenyl)-2-N-(2-methoxyethyl)cyclopropane-1,2-dicarboxamide
CID 109133078
1-N-(3-cyanophenyl)-2-N-(3-methylphenyl)cyclopropane-1,2-dicarboxamide
CID 109141101
4-N-(4-cyanophenyl)-1-N-[(2-fluorophenyl)methyl]cyclohexane-1,4-dicarboxamide
CID 109148405
2-N-(3-cyanophenyl)-1-N-(2-methylphenyl)cyclopropane-1,2-dicarboxamide
CID 109140997
1-N-[2,6-di(propan-2-yl)phenyl]-2-N-[(2-fluorophenyl)methyl]cyclopropane-1,2-dicarboxamide
CID 109135996
2-N-[(2-chlorophenyl)methyl]-1-N-(3,4-difluorophenyl)cyclopropane-1,2-dicarboxamide
CID 109136278
N'-(3-cyanophenyl)-N-[2-(2-fluorophenyl)ethyl]propanediamide
CID 108948356
1-N-(3-acetylphenyl)-2-N-[2-(2-fluorophenyl)ethyl]cyclopropane-1,2-dicarboxamide
CID 109137659

Frequently Asked Questions

What is the IUPAC name of 1-N-(3-cyanophenyl)-2-N-[(2-fluorophenyl)methyl]cyclopropane-1,2-dicarboxamide?
The IUPAC name of 1-N-(3-cyanophenyl)-2-N-[(2-fluorophenyl)methyl]cyclopropane-1,2-dicarboxamide (CID 109136011) is 1-N-(3-cyanophenyl)-2-N-[(2-fluorophenyl)methyl]cyclopropane-1,2-dicarboxamide.
What is the SMILES notation for 1-N-(3-cyanophenyl)-2-N-[(2-fluorophenyl)methyl]cyclopropane-1,2-dicarboxamide?
The canonical SMILES for 1-N-(3-cyanophenyl)-2-N-[(2-fluorophenyl)methyl]cyclopropane-1,2-dicarboxamide is N#Cc1cccc(NC(=O)C2CC2C(=O)NCc2ccccc2F)c1.
What is the InChIKey of 1-N-(3-cyanophenyl)-2-N-[(2-fluorophenyl)methyl]cyclopropane-1,2-dicarboxamide?
The InChIKey is QNCAOZREXGIOBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FN3O2/c20-17-7-2-1-5-13(17)11-22-18(24)15-9-16(15)19(25)23-14-6-3-4-12(8-14)10-21/h1-8,15-16H,9,11H2,(H,22,24)(H,23,25).
What are the key properties of 1-N-(3-cyanophenyl)-2-N-[(2-fluorophenyl)methyl]cyclopropane-1,2-dicarboxamide?
1-N-(3-cyanophenyl)-2-N-[(2-fluorophenyl)methyl]cyclopropane-1,2-dicarboxamide has a molecular weight of 337.35 g/mol, XLogP of 2.59, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(3-cyanophenyl)-2-N-[(2-fluorophenyl)methyl]cyclopropane-1,2-dicarboxamide is sourced from PubChem (CID 109136011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).