2,2-bis(4-chlorophenyl)-N-[(E)-(4-hydroxyphenyl)methylideneamino]cyclopropane-1-carboxamide

C23H18Cl2N2O2 — CID 135627948

IUPAC2,2-bis(4-chlorophenyl)-N-[(E)-(4-hydroxyphenyl)methylideneamino]cyclopropane-1-carboxamide
SMILESO=C(N/N=C/c1ccc(O)cc1)C1CC1(c1ccc(Cl)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C23H18Cl2N2O2/c24-18-7-3-16(4-8-18)23(17-5-9-19(25)10-6-17)13-21(23)22(29)27-26-14-15-1-11-20(28)12-2-15/h1-12,14,21,28H,13H2,(H,27,29)/b26-14+
InChIKeyXNRIDFYSTGXNRY-VULFUBBASA-N
MW425.32 g/mol
LogP5.16
Rot. Bonds5

About 2,2-bis(4-chlorophenyl)-N-[(E)-(4-hydroxyphenyl)methylideneamino]cyclopropane-1-carboxamide

2,2-bis(4-chlorophenyl)-N-[(E)-(4-hydroxyphenyl)methylideneamino]cyclopropane-1-carboxamide (PubChem CID 135627948) has the molecular formula C23H18Cl2N2O2 and a molecular weight of 425.32 g/mol. Its IUPAC name is 2,2-bis(4-chlorophenyl)-N-[(E)-(4-hydroxyphenyl)methylideneamino]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name2,2-bis(4-chlorophenyl)-N-[(E)-(4-hydroxyphenyl)methylideneamino]cyclopropane-1-carboxamide
PubChem CID135627948
Molecular FormulaC23H18Cl2N2O2
Molecular Weight425.32 g/mol
Exact Mass424.07
IUPAC Name2,2-bis(4-chlorophenyl)-N-[(E)-(4-hydroxyphenyl)methylideneamino]cyclopropane-1-carboxamide
SMILESO=C(N/N=C/c1ccc(O)cc1)C1CC1(c1ccc(Cl)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C23H18Cl2N2O2/c24-18-7-3-16(4-8-18)23(17-5-9-19(25)10-6-17)13-21(23)22(29)27-26-14-15-1-11-20(28)12-2-15/h1-12,14,21,28H,13H2,(H,27,29)/b26-14+
InChIKeyXNRIDFYSTGXNRY-VULFUBBASA-N
XLogP5.16
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.32
LogP ≤ 55.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(1R)-N-[(E)-(4-hydroxyphenyl)methylideneamino]-2,2-bis(3-methylphenyl)cyclopropane-1-carboxamide
CID 135571945
2,2-diphenyl-N-[(4-phenylmethoxyphenyl)methylideneamino]cyclopropane-1-carboxamide
CID 4177056
[4-[[(2,2-diphenylcyclopropanecarbonyl)hydrazinylidene]methyl]phenyl] benzoate
CID 3683774
(1S)-N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-2,2-diphenylcyclopropane-1-carboxamide
CID 135851694
N-[(Z)-(4-chlorophenyl)methylideneamino]cyclohexanecarboxamide
CID 5427449
N-[(Z)-(4-chlorophenyl)methylideneamino]-2-(4-hydroxyphenyl)acetamide
CID 110515666
(1S)-N-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-2,2-diphenylcyclopropane-1-carboxamide
CID 6894206
(1S)-N-[(Z)-(5-chloro-2-methoxyphenyl)methylideneamino]-2,2-diphenylcyclopropane-1-carboxamide
CID 7037543
N-[(5-chloro-2-methoxyphenyl)methylideneamino]-2,2-diphenylcyclopropane-1-carboxamide
CID 2837311
1-[(Z)-(4-hydroxyphenyl)methylideneamino]-3-[(E)-(4-hydroxyphenyl)methylideneamino]urea
CID 135408538
N-[(E)-(3-bromo-4-methoxyphenyl)methylideneamino]-2,2-diphenylcyclopropane-1-carboxamide
CID 16760798
(1S)-N-[(Z)-(2,4-dihydroxy-6-methylphenyl)methylideneamino]-2,2-diphenylcyclopropane-1-carboxamide
CID 136863953

Frequently Asked Questions

What is the IUPAC name of 2,2-bis(4-chlorophenyl)-N-[(E)-(4-hydroxyphenyl)methylideneamino]cyclopropane-1-carboxamide?
The IUPAC name of 2,2-bis(4-chlorophenyl)-N-[(E)-(4-hydroxyphenyl)methylideneamino]cyclopropane-1-carboxamide (CID 135627948) is 2,2-bis(4-chlorophenyl)-N-[(E)-(4-hydroxyphenyl)methylideneamino]cyclopropane-1-carboxamide.
What is the SMILES notation for 2,2-bis(4-chlorophenyl)-N-[(E)-(4-hydroxyphenyl)methylideneamino]cyclopropane-1-carboxamide?
The canonical SMILES for 2,2-bis(4-chlorophenyl)-N-[(E)-(4-hydroxyphenyl)methylideneamino]cyclopropane-1-carboxamide is O=C(N/N=C/c1ccc(O)cc1)C1CC1(c1ccc(Cl)cc1)c1ccc(Cl)cc1.
What is the InChIKey of 2,2-bis(4-chlorophenyl)-N-[(E)-(4-hydroxyphenyl)methylideneamino]cyclopropane-1-carboxamide?
The InChIKey is XNRIDFYSTGXNRY-VULFUBBASA-N. The full InChI is InChI=1S/C23H18Cl2N2O2/c24-18-7-3-16(4-8-18)23(17-5-9-19(25)10-6-17)13-21(23)22(29)27-26-14-15-1-11-20(28)12-2-15/h1-12,14,21,28H,13H2,(H,27,29)/b26-14+.
What are the key properties of 2,2-bis(4-chlorophenyl)-N-[(E)-(4-hydroxyphenyl)methylideneamino]cyclopropane-1-carboxamide?
2,2-bis(4-chlorophenyl)-N-[(E)-(4-hydroxyphenyl)methylideneamino]cyclopropane-1-carboxamide has a molecular weight of 425.32 g/mol, XLogP of 5.16, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-bis(4-chlorophenyl)-N-[(E)-(4-hydroxyphenyl)methylideneamino]cyclopropane-1-carboxamide is sourced from PubChem (CID 135627948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).