2-(2,3-difluorophenyl)-N-[2-(5-methyl-1H-imidazol-2-yl)phenyl]cyclopropane-1-carboxamide

C20H17F2N3O — CID 71847061

IUPAC2-(2,3-difluorophenyl)-N-[2-(5-methyl-1H-imidazol-2-yl)phenyl]cyclopropane-1-carboxamide
SMILESCc1cnc(-c2ccccc2NC(=O)C2CC2c2cccc(F)c2F)[nH]1
InChIInChI=1S/C20H17F2N3O/c1-11-10-23-19(24-11)13-5-2-3-8-17(13)25-20(26)15-9-14(15)12-6-4-7-16(21)18(12)22/h2-8,10,14-15H,9H2,1H3,(H,23,24)(H,25,26)
InChIKeyJOATZKBMLYPFAS-UHFFFAOYSA-N
MW353.37 g/mol
LogP4.41
Rot. Bonds4

About 2-(2,3-difluorophenyl)-N-[2-(5-methyl-1H-imidazol-2-yl)phenyl]cyclopropane-1-carboxamide

2-(2,3-difluorophenyl)-N-[2-(5-methyl-1H-imidazol-2-yl)phenyl]cyclopropane-1-carboxamide (PubChem CID 71847061) has the molecular formula C20H17F2N3O and a molecular weight of 353.37 g/mol. Its IUPAC name is 2-(2,3-difluorophenyl)-N-[2-(5-methyl-1H-imidazol-2-yl)phenyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name2-(2,3-difluorophenyl)-N-[2-(5-methyl-1H-imidazol-2-yl)phenyl]cyclopropane-1-carboxamide
PubChem CID71847061
Molecular FormulaC20H17F2N3O
Molecular Weight353.37 g/mol
Exact Mass353.13
IUPAC Name2-(2,3-difluorophenyl)-N-[2-(5-methyl-1H-imidazol-2-yl)phenyl]cyclopropane-1-carboxamide
SMILESCc1cnc(-c2ccccc2NC(=O)C2CC2c2cccc(F)c2F)[nH]1
InChIInChI=1S/C20H17F2N3O/c1-11-10-23-19(24-11)13-5-2-3-8-17(13)25-20(26)15-9-14(15)12-6-4-7-16(21)18(12)22/h2-8,10,14-15H,9H2,1H3,(H,23,24)(H,25,26)
InChIKeyJOATZKBMLYPFAS-UHFFFAOYSA-N
XLogP4.41
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.37
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3-difluorophenyl)-N-[2-(5-methyl-1H-imidazol-2-yl)phenyl]cyclopropane-1-carboxamide?
The IUPAC name of 2-(2,3-difluorophenyl)-N-[2-(5-methyl-1H-imidazol-2-yl)phenyl]cyclopropane-1-carboxamide (CID 71847061) is 2-(2,3-difluorophenyl)-N-[2-(5-methyl-1H-imidazol-2-yl)phenyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 2-(2,3-difluorophenyl)-N-[2-(5-methyl-1H-imidazol-2-yl)phenyl]cyclopropane-1-carboxamide?
The canonical SMILES for 2-(2,3-difluorophenyl)-N-[2-(5-methyl-1H-imidazol-2-yl)phenyl]cyclopropane-1-carboxamide is Cc1cnc(-c2ccccc2NC(=O)C2CC2c2cccc(F)c2F)[nH]1.
What is the InChIKey of 2-(2,3-difluorophenyl)-N-[2-(5-methyl-1H-imidazol-2-yl)phenyl]cyclopropane-1-carboxamide?
The InChIKey is JOATZKBMLYPFAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F2N3O/c1-11-10-23-19(24-11)13-5-2-3-8-17(13)25-20(26)15-9-14(15)12-6-4-7-16(21)18(12)22/h2-8,10,14-15H,9H2,1H3,(H,23,24)(H,25,26).
What are the key properties of 2-(2,3-difluorophenyl)-N-[2-(5-methyl-1H-imidazol-2-yl)phenyl]cyclopropane-1-carboxamide?
2-(2,3-difluorophenyl)-N-[2-(5-methyl-1H-imidazol-2-yl)phenyl]cyclopropane-1-carboxamide has a molecular weight of 353.37 g/mol, XLogP of 4.41, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-difluorophenyl)-N-[2-(5-methyl-1H-imidazol-2-yl)phenyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 71847061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).