N-(2,3-dimethylphenyl)-2-phenylcyclopropane-1-carboxamide

C18H19NO — CID 2933462

IUPACN-(2,3-dimethylphenyl)-2-phenylcyclopropane-1-carboxamide
SMILESCc1cccc(NC(=O)C2CC2c2ccccc2)c1C
InChIInChI=1S/C18H19NO/c1-12-7-6-10-17(13(12)2)19-18(20)16-11-15(16)14-8-4-3-5-9-14/h3-10,15-16H,11H2,1-2H3,(H,19,20)
InChIKeyIYRCXMNFTFYQPG-UHFFFAOYSA-N
MW265.36 g/mol
LogP4.05
Rot. Bonds3

About N-(2,3-dimethylphenyl)-2-phenylcyclopropane-1-carboxamide

N-(2,3-dimethylphenyl)-2-phenylcyclopropane-1-carboxamide (PubChem CID 2933462) has the molecular formula C18H19NO and a molecular weight of 265.36 g/mol. Its IUPAC name is N-(2,3-dimethylphenyl)-2-phenylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-(2,3-dimethylphenyl)-2-phenylcyclopropane-1-carboxamide
PubChem CID2933462
Molecular FormulaC18H19NO
Molecular Weight265.36 g/mol
Exact Mass265.15
IUPAC NameN-(2,3-dimethylphenyl)-2-phenylcyclopropane-1-carboxamide
SMILESCc1cccc(NC(=O)C2CC2c2ccccc2)c1C
InChIInChI=1S/C18H19NO/c1-12-7-6-10-17(13(12)2)19-18(20)16-11-15(16)14-8-4-3-5-9-14/h3-10,15-16H,11H2,1-2H3,(H,19,20)
InChIKeyIYRCXMNFTFYQPG-UHFFFAOYSA-N
XLogP4.05
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylphenyl)-2-phenylcyclopropane-1-carboxamide?
The IUPAC name of N-(2,3-dimethylphenyl)-2-phenylcyclopropane-1-carboxamide (CID 2933462) is N-(2,3-dimethylphenyl)-2-phenylcyclopropane-1-carboxamide.
What is the SMILES notation for N-(2,3-dimethylphenyl)-2-phenylcyclopropane-1-carboxamide?
The canonical SMILES for N-(2,3-dimethylphenyl)-2-phenylcyclopropane-1-carboxamide is Cc1cccc(NC(=O)C2CC2c2ccccc2)c1C.
What is the InChIKey of N-(2,3-dimethylphenyl)-2-phenylcyclopropane-1-carboxamide?
The InChIKey is IYRCXMNFTFYQPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO/c1-12-7-6-10-17(13(12)2)19-18(20)16-11-15(16)14-8-4-3-5-9-14/h3-10,15-16H,11H2,1-2H3,(H,19,20).
What are the key properties of N-(2,3-dimethylphenyl)-2-phenylcyclopropane-1-carboxamide?
N-(2,3-dimethylphenyl)-2-phenylcyclopropane-1-carboxamide has a molecular weight of 265.36 g/mol, XLogP of 4.05, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylphenyl)-2-phenylcyclopropane-1-carboxamide is sourced from PubChem (CID 2933462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).