(1R)-N-[(3,5-diiodo-2-methoxyphenyl)methylideneamino]-2,2-diphenylcyclopropane-1-carboxamide

C24H20I2N2O2 — CID 129438356

IUPAC(1R)-N-[(3,5-diiodo-2-methoxyphenyl)methylideneamino]-2,2-diphenylcyclopropane-1-carboxamide
SMILESCOc1c(I)cc(I)cc1C=NNC(=O)[C@@H]1CC1(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H20I2N2O2/c1-30-22-16(12-19(25)13-21(22)26)15-27-28-23(29)20-14-24(20,17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-13,15,20H,14H2,1H3,(H,28,29)/t20-/m0/s1
InChIKeyFWZUNSQMLOGNRV-FQEVSTJZSA-N
MW622.24 g/mol
LogP5.36
Rot. Bonds6

About (1R)-N-[(3,5-diiodo-2-methoxyphenyl)methylideneamino]-2,2-diphenylcyclopropane-1-carboxamide

(1R)-N-[(3,5-diiodo-2-methoxyphenyl)methylideneamino]-2,2-diphenylcyclopropane-1-carboxamide (PubChem CID 129438356) has the molecular formula C24H20I2N2O2 and a molecular weight of 622.24 g/mol. Its IUPAC name is (1R)-N-[(3,5-diiodo-2-methoxyphenyl)methylideneamino]-2,2-diphenylcyclopropane-1-carboxamide.

Molecular Properties

Compound Name(1R)-N-[(3,5-diiodo-2-methoxyphenyl)methylideneamino]-2,2-diphenylcyclopropane-1-carboxamide
PubChem CID129438356
Molecular FormulaC24H20I2N2O2
Molecular Weight622.24 g/mol
Exact Mass621.96
IUPAC Name(1R)-N-[(3,5-diiodo-2-methoxyphenyl)methylideneamino]-2,2-diphenylcyclopropane-1-carboxamide
SMILESCOc1c(I)cc(I)cc1C=NNC(=O)[C@@H]1CC1(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H20I2N2O2/c1-30-22-16(12-19(25)13-21(22)26)15-27-28-23(29)20-14-24(20,17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-13,15,20H,14H2,1H3,(H,28,29)/t20-/m0/s1
InChIKeyFWZUNSQMLOGNRV-FQEVSTJZSA-N
XLogP5.36
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500622.24
LogP ≤ 55.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(1S)-N-[(Z)-(2-hydroxy-3,5-diiodophenyl)methylideneamino]-2,2-diphenylcyclopropane-1-carboxamide
CID 136852332
2,2-diphenyl-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]cyclopropane-1-carboxamide
CID 162647013
(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
(1R)-N-[(3-methoxyphenyl)methylideneamino]-2,2-diphenylcyclopropane-1-carboxamide
CID 1237555
(1S)-N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-2,2-diphenylcyclopropane-1-carboxamide
CID 135851694
N-[(E)-(3-bromo-4-methoxyphenyl)methylideneamino]-2,2-diphenylcyclopropane-1-carboxamide
CID 16760798
(1S)-N-[(Z)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2,2-diphenylcyclopropane-1-carboxamide
CID 136786083
N-[(2-nitrophenyl)methylideneamino]-2,2-diphenylcyclopropane-1-carboxamide
CID 3093090
(1R)-N-[(Z)-(6-chloro-1,3-benzodioxol-5-yl)methylideneamino]-2,2-diphenylcyclopropane-1-carboxamide
CID 5456388
2,2-diphenyl-N-[(E)-1H-pyrrol-2-ylmethylideneamino]cyclopropane-1-carboxamide
CID 162669964
(1R)-N-[(Z)-(5-bromo-3-ethoxy-2-hydroxyphenyl)methylideneamino]-2,2-diphenylcyclopropane-1-carboxamide
CID 136852920

Frequently Asked Questions

What is the IUPAC name of (1R)-N-[(3,5-diiodo-2-methoxyphenyl)methylideneamino]-2,2-diphenylcyclopropane-1-carboxamide?
The IUPAC name of (1R)-N-[(3,5-diiodo-2-methoxyphenyl)methylideneamino]-2,2-diphenylcyclopropane-1-carboxamide (CID 129438356) is (1R)-N-[(3,5-diiodo-2-methoxyphenyl)methylideneamino]-2,2-diphenylcyclopropane-1-carboxamide.
What is the SMILES notation for (1R)-N-[(3,5-diiodo-2-methoxyphenyl)methylideneamino]-2,2-diphenylcyclopropane-1-carboxamide?
The canonical SMILES for (1R)-N-[(3,5-diiodo-2-methoxyphenyl)methylideneamino]-2,2-diphenylcyclopropane-1-carboxamide is COc1c(I)cc(I)cc1C=NNC(=O)[C@@H]1CC1(c1ccccc1)c1ccccc1.
What is the InChIKey of (1R)-N-[(3,5-diiodo-2-methoxyphenyl)methylideneamino]-2,2-diphenylcyclopropane-1-carboxamide?
The InChIKey is FWZUNSQMLOGNRV-FQEVSTJZSA-N. The full InChI is InChI=1S/C24H20I2N2O2/c1-30-22-16(12-19(25)13-21(22)26)15-27-28-23(29)20-14-24(20,17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-13,15,20H,14H2,1H3,(H,28,29)/t20-/m0/s1.
What are the key properties of (1R)-N-[(3,5-diiodo-2-methoxyphenyl)methylideneamino]-2,2-diphenylcyclopropane-1-carboxamide?
(1R)-N-[(3,5-diiodo-2-methoxyphenyl)methylideneamino]-2,2-diphenylcyclopropane-1-carboxamide has a molecular weight of 622.24 g/mol, XLogP of 5.36, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-[(3,5-diiodo-2-methoxyphenyl)methylideneamino]-2,2-diphenylcyclopropane-1-carboxamide is sourced from PubChem (CID 129438356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).