N-(2-hydroxy-4-nitrophenyl)-2,2-bis(3-methylphenyl)cyclopropane-1-carboxamide

C24H22N2O4 — CID 3105194

IUPACN-(2-hydroxy-4-nitrophenyl)-2,2-bis(3-methylphenyl)cyclopropane-1-carboxamide
SMILESCc1cccc(C2(c3cccc(C)c3)CC2C(=O)Nc2ccc([N+](=O)[O-])cc2O)c1
InChIInChI=1S/C24H22N2O4/c1-15-5-3-7-17(11-15)24(18-8-4-6-16(2)12-18)14-20(24)23(28)25-21-10-9-19(26(29)30)13-22(21)27/h3-13,20,27H,14H2,1-2H3,(H,25,28)
InChIKeyJWSPOYWIADRWOW-UHFFFAOYSA-N
MW402.45 g/mol
LogP4.86
Rot. Bonds5

About N-(2-hydroxy-4-nitrophenyl)-2,2-bis(3-methylphenyl)cyclopropane-1-carboxamide

N-(2-hydroxy-4-nitrophenyl)-2,2-bis(3-methylphenyl)cyclopropane-1-carboxamide (PubChem CID 3105194) has the molecular formula C24H22N2O4 and a molecular weight of 402.45 g/mol. Its IUPAC name is N-(2-hydroxy-4-nitrophenyl)-2,2-bis(3-methylphenyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxy-4-nitrophenyl)-2,2-bis(3-methylphenyl)cyclopropane-1-carboxamide
PubChem CID3105194
Molecular FormulaC24H22N2O4
Molecular Weight402.45 g/mol
Exact Mass402.16
IUPAC NameN-(2-hydroxy-4-nitrophenyl)-2,2-bis(3-methylphenyl)cyclopropane-1-carboxamide
SMILESCc1cccc(C2(c3cccc(C)c3)CC2C(=O)Nc2ccc([N+](=O)[O-])cc2O)c1
InChIInChI=1S/C24H22N2O4/c1-15-5-3-7-17(11-15)24(18-8-4-6-16(2)12-18)14-20(24)23(28)25-21-10-9-19(26(29)30)13-22(21)27/h3-13,20,27H,14H2,1-2H3,(H,25,28)
InChIKeyJWSPOYWIADRWOW-UHFFFAOYSA-N
XLogP4.86
TPSA92.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.45
LogP ≤ 54.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}, {'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-(2-hydroxy-4-nitrophenyl)-2,2-bis(3-methylphenyl)cyclopropane-1-carboxamide?
The IUPAC name of N-(2-hydroxy-4-nitrophenyl)-2,2-bis(3-methylphenyl)cyclopropane-1-carboxamide (CID 3105194) is N-(2-hydroxy-4-nitrophenyl)-2,2-bis(3-methylphenyl)cyclopropane-1-carboxamide.
What is the SMILES notation for N-(2-hydroxy-4-nitrophenyl)-2,2-bis(3-methylphenyl)cyclopropane-1-carboxamide?
The canonical SMILES for N-(2-hydroxy-4-nitrophenyl)-2,2-bis(3-methylphenyl)cyclopropane-1-carboxamide is Cc1cccc(C2(c3cccc(C)c3)CC2C(=O)Nc2ccc([N+](=O)[O-])cc2O)c1.
What is the InChIKey of N-(2-hydroxy-4-nitrophenyl)-2,2-bis(3-methylphenyl)cyclopropane-1-carboxamide?
The InChIKey is JWSPOYWIADRWOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O4/c1-15-5-3-7-17(11-15)24(18-8-4-6-16(2)12-18)14-20(24)23(28)25-21-10-9-19(26(29)30)13-22(21)27/h3-13,20,27H,14H2,1-2H3,(H,25,28).
What are the key properties of N-(2-hydroxy-4-nitrophenyl)-2,2-bis(3-methylphenyl)cyclopropane-1-carboxamide?
N-(2-hydroxy-4-nitrophenyl)-2,2-bis(3-methylphenyl)cyclopropane-1-carboxamide has a molecular weight of 402.45 g/mol, XLogP of 4.86, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-4-nitrophenyl)-2,2-bis(3-methylphenyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 3105194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).