N-(1-benzyl-2-pyridinylidene)-2-(2-chlorophenyl)cyclopropane-1-carboxamide

C22H19ClN2O — CID 55474062

IUPACN-(1-benzyl-2-pyridinylidene)-2-(2-chlorophenyl)cyclopropane-1-carboxamide
SMILESO=C(/N=c1/ccccn1Cc1ccccc1)C1CC1c1ccccc1Cl
InChIInChI=1S/C22H19ClN2O/c23-20-11-5-4-10-17(20)18-14-19(18)22(26)24-21-12-6-7-13-25(21)15-16-8-2-1-3-9-16/h1-13,18-19H,14-15H2/b24-21-
InChIKeyUEPYEZKTRHPWCG-FLFQWRMESA-N
MW362.86 g/mol
LogP4.42
Rot. Bonds4

About N-(1-benzyl-2-pyridinylidene)-2-(2-chlorophenyl)cyclopropane-1-carboxamide

N-(1-benzyl-2-pyridinylidene)-2-(2-chlorophenyl)cyclopropane-1-carboxamide (PubChem CID 55474062) has the molecular formula C22H19ClN2O and a molecular weight of 362.86 g/mol. Its IUPAC name is N-(1-benzyl-2-pyridinylidene)-2-(2-chlorophenyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-(1-benzyl-2-pyridinylidene)-2-(2-chlorophenyl)cyclopropane-1-carboxamide
PubChem CID55474062
Molecular FormulaC22H19ClN2O
Molecular Weight362.86 g/mol
Exact Mass362.12
IUPAC NameN-(1-benzyl-2-pyridinylidene)-2-(2-chlorophenyl)cyclopropane-1-carboxamide
SMILESO=C(/N=c1/ccccn1Cc1ccccc1)C1CC1c1ccccc1Cl
InChIInChI=1S/C22H19ClN2O/c23-20-11-5-4-10-17(20)18-14-19(18)22(26)24-21-12-6-7-13-25(21)15-16-8-2-1-3-9-16/h1-13,18-19H,14-15H2/b24-21-
InChIKeyUEPYEZKTRHPWCG-FLFQWRMESA-N
XLogP4.42
TPSA34.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.86
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(1-benzyl-2-pyridinylidene)-2-(2-chlorophenyl)cyclopropane-1-carboxamide?
The IUPAC name of N-(1-benzyl-2-pyridinylidene)-2-(2-chlorophenyl)cyclopropane-1-carboxamide (CID 55474062) is N-(1-benzyl-2-pyridinylidene)-2-(2-chlorophenyl)cyclopropane-1-carboxamide.
What is the SMILES notation for N-(1-benzyl-2-pyridinylidene)-2-(2-chlorophenyl)cyclopropane-1-carboxamide?
The canonical SMILES for N-(1-benzyl-2-pyridinylidene)-2-(2-chlorophenyl)cyclopropane-1-carboxamide is O=C(/N=c1/ccccn1Cc1ccccc1)C1CC1c1ccccc1Cl.
What is the InChIKey of N-(1-benzyl-2-pyridinylidene)-2-(2-chlorophenyl)cyclopropane-1-carboxamide?
The InChIKey is UEPYEZKTRHPWCG-FLFQWRMESA-N. The full InChI is InChI=1S/C22H19ClN2O/c23-20-11-5-4-10-17(20)18-14-19(18)22(26)24-21-12-6-7-13-25(21)15-16-8-2-1-3-9-16/h1-13,18-19H,14-15H2/b24-21-.
What are the key properties of N-(1-benzyl-2-pyridinylidene)-2-(2-chlorophenyl)cyclopropane-1-carboxamide?
N-(1-benzyl-2-pyridinylidene)-2-(2-chlorophenyl)cyclopropane-1-carboxamide has a molecular weight of 362.86 g/mol, XLogP of 4.42, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzyl-2-pyridinylidene)-2-(2-chlorophenyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 55474062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).