(1S)-N-(2-hydroxy-4-nitrophenyl)-2,2-diphenylcyclopropane-1-carboxamide

C22H18N2O4 — CID 7493615

IUPAC(1S)-N-(2-hydroxy-4-nitrophenyl)-2,2-diphenylcyclopropane-1-carboxamide
SMILESO=C(Nc1ccc([N+](=O)[O-])cc1O)[C@H]1CC1(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H18N2O4/c25-20-13-17(24(27)28)11-12-19(20)23-21(26)18-14-22(18,15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-13,18,25H,14H2,(H,23,26)/t18-/m1/s1
InChIKeyQHUQDMDYAONQLP-GOSISDBHSA-N
MW374.40 g/mol
LogP4.25
Rot. Bonds5

About (1S)-N-(2-hydroxy-4-nitrophenyl)-2,2-diphenylcyclopropane-1-carboxamide

(1S)-N-(2-hydroxy-4-nitrophenyl)-2,2-diphenylcyclopropane-1-carboxamide (PubChem CID 7493615) has the molecular formula C22H18N2O4 and a molecular weight of 374.40 g/mol. Its IUPAC name is (1S)-N-(2-hydroxy-4-nitrophenyl)-2,2-diphenylcyclopropane-1-carboxamide.

Molecular Properties

Compound Name(1S)-N-(2-hydroxy-4-nitrophenyl)-2,2-diphenylcyclopropane-1-carboxamide
PubChem CID7493615
Molecular FormulaC22H18N2O4
Molecular Weight374.40 g/mol
Exact Mass374.13
IUPAC Name(1S)-N-(2-hydroxy-4-nitrophenyl)-2,2-diphenylcyclopropane-1-carboxamide
SMILESO=C(Nc1ccc([N+](=O)[O-])cc1O)[C@H]1CC1(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H18N2O4/c25-20-13-17(24(27)28)11-12-19(20)23-21(26)18-14-22(18,15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-13,18,25H,14H2,(H,23,26)/t18-/m1/s1
InChIKeyQHUQDMDYAONQLP-GOSISDBHSA-N
XLogP4.25
TPSA92.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.40
LogP ≤ 54.25
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 (1S)-N-(2-hydroxy-4-nitrophenyl)-2,2-diphenylcyclopropane-1-carboxamide?
The IUPAC name of (1S)-N-(2-hydroxy-4-nitrophenyl)-2,2-diphenylcyclopropane-1-carboxamide (CID 7493615) is (1S)-N-(2-hydroxy-4-nitrophenyl)-2,2-diphenylcyclopropane-1-carboxamide.
What is the SMILES notation for (1S)-N-(2-hydroxy-4-nitrophenyl)-2,2-diphenylcyclopropane-1-carboxamide?
The canonical SMILES for (1S)-N-(2-hydroxy-4-nitrophenyl)-2,2-diphenylcyclopropane-1-carboxamide is O=C(Nc1ccc([N+](=O)[O-])cc1O)[C@H]1CC1(c1ccccc1)c1ccccc1.
What is the InChIKey of (1S)-N-(2-hydroxy-4-nitrophenyl)-2,2-diphenylcyclopropane-1-carboxamide?
The InChIKey is QHUQDMDYAONQLP-GOSISDBHSA-N. The full InChI is InChI=1S/C22H18N2O4/c25-20-13-17(24(27)28)11-12-19(20)23-21(26)18-14-22(18,15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-13,18,25H,14H2,(H,23,26)/t18-/m1/s1.
What are the key properties of (1S)-N-(2-hydroxy-4-nitrophenyl)-2,2-diphenylcyclopropane-1-carboxamide?
(1S)-N-(2-hydroxy-4-nitrophenyl)-2,2-diphenylcyclopropane-1-carboxamide has a molecular weight of 374.40 g/mol, XLogP of 4.25, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-(2-hydroxy-4-nitrophenyl)-2,2-diphenylcyclopropane-1-carboxamide is sourced from PubChem (CID 7493615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).