N-[(E)-(4-hydroxy-3-nitrophenyl)methylideneamino]-2,2-diphenylcyclopropane-1-carboxamide

C23H19N3O4 — CID 135455062

IUPACN-[(E)-(4-hydroxy-3-nitrophenyl)methylideneamino]-2,2-diphenylcyclopropane-1-carboxamide
SMILESO=C(N/N=C/c1ccc(O)c([N+](=O)[O-])c1)C1CC1(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H19N3O4/c27-21-12-11-16(13-20(21)26(29)30)15-24-25-22(28)19-14-23(19,17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-13,15,19,27H,14H2,(H,25,28)/b24-15+
InChIKeyCBHJHSVEFKBIRZ-BUVRLJJBSA-N
MW401.42 g/mol
LogP3.76
Rot. Bonds6

About N-[(E)-(4-hydroxy-3-nitrophenyl)methylideneamino]-2,2-diphenylcyclopropane-1-carboxamide

N-[(E)-(4-hydroxy-3-nitrophenyl)methylideneamino]-2,2-diphenylcyclopropane-1-carboxamide (PubChem CID 135455062) has the molecular formula C23H19N3O4 and a molecular weight of 401.42 g/mol. Its IUPAC name is N-[(E)-(4-hydroxy-3-nitrophenyl)methylideneamino]-2,2-diphenylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[(E)-(4-hydroxy-3-nitrophenyl)methylideneamino]-2,2-diphenylcyclopropane-1-carboxamide
PubChem CID135455062
Molecular FormulaC23H19N3O4
Molecular Weight401.42 g/mol
Exact Mass401.14
IUPAC NameN-[(E)-(4-hydroxy-3-nitrophenyl)methylideneamino]-2,2-diphenylcyclopropane-1-carboxamide
SMILESO=C(N/N=C/c1ccc(O)c([N+](=O)[O-])c1)C1CC1(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H19N3O4/c27-21-12-11-16(13-20(21)26(29)30)15-24-25-22(28)19-14-23(19,17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-13,15,19,27H,14H2,(H,25,28)/b24-15+
InChIKeyCBHJHSVEFKBIRZ-BUVRLJJBSA-N
XLogP3.76
TPSA104.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.42
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

CID 135642278
CID 135642278
CID 86261287
CID 86261287
CID 135624573
CID 135624573
CID 135642279
CID 135642279
CID 135455115
CID 135455115
CID 135479551
CID 135479551
CID 135490346
CID 135490346
CID 135517039
CID 135517039
CID 135433309
CID 135433309
CID 136167978
CID 136167978
CID 136810482
CID 136810482
CID 137169174
CID 137169174

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(4-hydroxy-3-nitrophenyl)methylideneamino]-2,2-diphenylcyclopropane-1-carboxamide?
The IUPAC name of N-[(E)-(4-hydroxy-3-nitrophenyl)methylideneamino]-2,2-diphenylcyclopropane-1-carboxamide (CID 135455062) is N-[(E)-(4-hydroxy-3-nitrophenyl)methylideneamino]-2,2-diphenylcyclopropane-1-carboxamide.
What is the SMILES notation for N-[(E)-(4-hydroxy-3-nitrophenyl)methylideneamino]-2,2-diphenylcyclopropane-1-carboxamide?
The canonical SMILES for N-[(E)-(4-hydroxy-3-nitrophenyl)methylideneamino]-2,2-diphenylcyclopropane-1-carboxamide is O=C(N/N=C/c1ccc(O)c([N+](=O)[O-])c1)C1CC1(c1ccccc1)c1ccccc1.
What is the InChIKey of N-[(E)-(4-hydroxy-3-nitrophenyl)methylideneamino]-2,2-diphenylcyclopropane-1-carboxamide?
The InChIKey is CBHJHSVEFKBIRZ-BUVRLJJBSA-N. The full InChI is InChI=1S/C23H19N3O4/c27-21-12-11-16(13-20(21)26(29)30)15-24-25-22(28)19-14-23(19,17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-13,15,19,27H,14H2,(H,25,28)/b24-15+.
What are the key properties of N-[(E)-(4-hydroxy-3-nitrophenyl)methylideneamino]-2,2-diphenylcyclopropane-1-carboxamide?
N-[(E)-(4-hydroxy-3-nitrophenyl)methylideneamino]-2,2-diphenylcyclopropane-1-carboxamide has a molecular weight of 401.42 g/mol, XLogP of 3.76, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(4-hydroxy-3-nitrophenyl)methylideneamino]-2,2-diphenylcyclopropane-1-carboxamide is sourced from PubChem (CID 135455062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).