N-(4-methyl-2-nitrophenyl)-2-phenylcyclopropane-1-carboxamide

C17H16N2O3 — CID 2932429

IUPACN-(4-methyl-2-nitrophenyl)-2-phenylcyclopropane-1-carboxamide
SMILESCc1ccc(NC(=O)C2CC2c2ccccc2)c([N+](=O)[O-])c1
InChIInChI=1S/C17H16N2O3/c1-11-7-8-15(16(9-11)19(21)22)18-17(20)14-10-13(14)12-5-3-2-4-6-12/h2-9,13-14H,10H2,1H3,(H,18,20)
InChIKeyQAQUIVIJORWZTM-UHFFFAOYSA-N
MW296.33 g/mol
LogP3.65
Rot. Bonds4

About N-(4-methyl-2-nitrophenyl)-2-phenylcyclopropane-1-carboxamide

N-(4-methyl-2-nitrophenyl)-2-phenylcyclopropane-1-carboxamide (PubChem CID 2932429) has the molecular formula C17H16N2O3 and a molecular weight of 296.33 g/mol. Its IUPAC name is N-(4-methyl-2-nitrophenyl)-2-phenylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-(4-methyl-2-nitrophenyl)-2-phenylcyclopropane-1-carboxamide
PubChem CID2932429
Molecular FormulaC17H16N2O3
Molecular Weight296.33 g/mol
Exact Mass296.12
IUPAC NameN-(4-methyl-2-nitrophenyl)-2-phenylcyclopropane-1-carboxamide
SMILESCc1ccc(NC(=O)C2CC2c2ccccc2)c([N+](=O)[O-])c1
InChIInChI=1S/C17H16N2O3/c1-11-7-8-15(16(9-11)19(21)22)18-17(20)14-10-13(14)12-5-3-2-4-6-12/h2-9,13-14H,10H2,1H3,(H,18,20)
InChIKeyQAQUIVIJORWZTM-UHFFFAOYSA-N
XLogP3.65
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-2-nitrophenyl)-2-phenylcyclopropane-1-carboxamide?
The IUPAC name of N-(4-methyl-2-nitrophenyl)-2-phenylcyclopropane-1-carboxamide (CID 2932429) is N-(4-methyl-2-nitrophenyl)-2-phenylcyclopropane-1-carboxamide.
What is the SMILES notation for N-(4-methyl-2-nitrophenyl)-2-phenylcyclopropane-1-carboxamide?
The canonical SMILES for N-(4-methyl-2-nitrophenyl)-2-phenylcyclopropane-1-carboxamide is Cc1ccc(NC(=O)C2CC2c2ccccc2)c([N+](=O)[O-])c1.
What is the InChIKey of N-(4-methyl-2-nitrophenyl)-2-phenylcyclopropane-1-carboxamide?
The InChIKey is QAQUIVIJORWZTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O3/c1-11-7-8-15(16(9-11)19(21)22)18-17(20)14-10-13(14)12-5-3-2-4-6-12/h2-9,13-14H,10H2,1H3,(H,18,20).
What are the key properties of N-(4-methyl-2-nitrophenyl)-2-phenylcyclopropane-1-carboxamide?
N-(4-methyl-2-nitrophenyl)-2-phenylcyclopropane-1-carboxamide has a molecular weight of 296.33 g/mol, XLogP of 3.65, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-2-nitrophenyl)-2-phenylcyclopropane-1-carboxamide is sourced from PubChem (CID 2932429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).