(1S)-N-[(Z)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2,2-diphenylcyclopropane-1-carboxamide

C23H19BrN2O2 — CID 136786083

IUPAC(1S)-N-[(Z)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2,2-diphenylcyclopropane-1-carboxamide
SMILESO=C(N/N=C\c1cc(Br)ccc1O)[C@H]1CC1(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H19BrN2O2/c24-19-11-12-21(27)16(13-19)15-25-26-22(28)20-14-23(20,17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-13,15,20,27H,14H2,(H,26,28)/b25-15-/t20-/m1/s1
InChIKeyUQDSXJMZNZPXMS-UQEONJGVSA-N
MW435.32 g/mol
LogP4.61
Rot. Bonds5

About (1S)-N-[(Z)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2,2-diphenylcyclopropane-1-carboxamide

(1S)-N-[(Z)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2,2-diphenylcyclopropane-1-carboxamide (PubChem CID 136786083) has the molecular formula C23H19BrN2O2 and a molecular weight of 435.32 g/mol. Its IUPAC name is (1S)-N-[(Z)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2,2-diphenylcyclopropane-1-carboxamide.

Molecular Properties

Compound Name(1S)-N-[(Z)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2,2-diphenylcyclopropane-1-carboxamide
PubChem CID136786083
Molecular FormulaC23H19BrN2O2
Molecular Weight435.32 g/mol
Exact Mass434.06
IUPAC Name(1S)-N-[(Z)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2,2-diphenylcyclopropane-1-carboxamide
SMILESO=C(N/N=C\c1cc(Br)ccc1O)[C@H]1CC1(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H19BrN2O2/c24-19-11-12-21(27)16(13-19)15-25-26-22(28)20-14-23(20,17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-13,15,20,27H,14H2,(H,26,28)/b25-15-/t20-/m1/s1
InChIKeyUQDSXJMZNZPXMS-UQEONJGVSA-N
XLogP4.61
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.32
LogP ≤ 54.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', '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-[(Z)-(5-bromo-3-ethoxy-2-hydroxyphenyl)methylideneamino]-2,2-diphenylcyclopropane-1-carboxamide
CID 136852920
(1S)-N-[(Z)-(2-hydroxy-3,5-diiodophenyl)methylideneamino]-2,2-diphenylcyclopropane-1-carboxamide
CID 136852332
(1R)-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-2,2-diphenylcyclopropane-1-carboxamide
CID 135827743
(1S)-N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-2,2-diphenylcyclopropane-1-carboxamide
CID 135851694
[4-[[(2,2-diphenylcyclopropanecarbonyl)hydrazinylidene]methyl]phenyl] 3-bromobenzoate
CID 4620113
trans-(1R,2R)-N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-phenylcyclopropane-1-carboxamide
CID 137264733
(1S)-N-[(Z)-(2,4-dihydroxy-6-methylphenyl)methylideneamino]-2,2-diphenylcyclopropane-1-carboxamide
CID 136863953
(1S)-N-[(E)-(2,4-dihydroxy-6-methylphenyl)methylideneamino]-2,2-diphenylcyclopropane-1-carboxamide
CID 135748102
N-[(2-nitrophenyl)methylideneamino]-2,2-diphenylcyclopropane-1-carboxamide
CID 3093090
(1S)-N-[(5-bromo-2,4-dihydroxy-3,6-dimethylphenyl)methylideneamino]-2,2-diphenylcyclopropane-1-carboxamide
CID 137207035
(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

Frequently Asked Questions

What is the IUPAC name of (1S)-N-[(Z)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2,2-diphenylcyclopropane-1-carboxamide?
The IUPAC name of (1S)-N-[(Z)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2,2-diphenylcyclopropane-1-carboxamide (CID 136786083) is (1S)-N-[(Z)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2,2-diphenylcyclopropane-1-carboxamide.
What is the SMILES notation for (1S)-N-[(Z)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2,2-diphenylcyclopropane-1-carboxamide?
The canonical SMILES for (1S)-N-[(Z)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2,2-diphenylcyclopropane-1-carboxamide is O=C(N/N=C\c1cc(Br)ccc1O)[C@H]1CC1(c1ccccc1)c1ccccc1.
What is the InChIKey of (1S)-N-[(Z)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2,2-diphenylcyclopropane-1-carboxamide?
The InChIKey is UQDSXJMZNZPXMS-UQEONJGVSA-N. The full InChI is InChI=1S/C23H19BrN2O2/c24-19-11-12-21(27)16(13-19)15-25-26-22(28)20-14-23(20,17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-13,15,20,27H,14H2,(H,26,28)/b25-15-/t20-/m1/s1.
What are the key properties of (1S)-N-[(Z)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2,2-diphenylcyclopropane-1-carboxamide?
(1S)-N-[(Z)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2,2-diphenylcyclopropane-1-carboxamide has a molecular weight of 435.32 g/mol, XLogP of 4.61, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-[(Z)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2,2-diphenylcyclopropane-1-carboxamide is sourced from PubChem (CID 136786083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).