N-[(Z)-(3,5-diiodo-4-propan-2-yloxyphenyl)methylideneamino]-4-propoxybenzamide

C20H22I2N2O3 — CID 99945386

IUPACN-[(Z)-(3,5-diiodo-4-propan-2-yloxyphenyl)methylideneamino]-4-propoxybenzamide
SMILESCCCOc1ccc(C(=O)N/N=C\c2cc(I)c(OC(C)C)c(I)c2)cc1
InChIInChI=1S/C20H22I2N2O3/c1-4-9-26-16-7-5-15(6-8-16)20(25)24-23-12-14-10-17(21)19(18(22)11-14)27-13(2)3/h5-8,10-13H,4,9H2,1-3H3,(H,24,25)/b23-12-
InChIKeyDQTISEPYVCPDSL-FMCGGJTJSA-N
MW592.22 g/mol
LogP5.24
Rot. Bonds8

About N-[(Z)-(3,5-diiodo-4-propan-2-yloxyphenyl)methylideneamino]-4-propoxybenzamide

N-[(Z)-(3,5-diiodo-4-propan-2-yloxyphenyl)methylideneamino]-4-propoxybenzamide (PubChem CID 99945386) has the molecular formula C20H22I2N2O3 and a molecular weight of 592.22 g/mol. Its IUPAC name is N-[(Z)-(3,5-diiodo-4-propan-2-yloxyphenyl)methylideneamino]-4-propoxybenzamide.

Molecular Properties

Compound NameN-[(Z)-(3,5-diiodo-4-propan-2-yloxyphenyl)methylideneamino]-4-propoxybenzamide
PubChem CID99945386
Molecular FormulaC20H22I2N2O3
Molecular Weight592.22 g/mol
Exact Mass591.97
IUPAC NameN-[(Z)-(3,5-diiodo-4-propan-2-yloxyphenyl)methylideneamino]-4-propoxybenzamide
SMILESCCCOc1ccc(C(=O)N/N=C\c2cc(I)c(OC(C)C)c(I)c2)cc1
InChIInChI=1S/C20H22I2N2O3/c1-4-9-26-16-7-5-15(6-8-16)20(25)24-23-12-14-10-17(21)19(18(22)11-14)27-13(2)3/h5-8,10-13H,4,9H2,1-3H3,(H,24,25)/b23-12-
InChIKeyDQTISEPYVCPDSL-FMCGGJTJSA-N
XLogP5.24
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500592.22
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

N-[(E)-(3-chloro-5-methoxy-4-propan-2-yloxyphenyl)methylideneamino]-4-propoxybenzamide
CID 133169757
N-[(Z)-(3-chloro-5-methoxy-4-propan-2-yloxyphenyl)methylideneamino]-4-propoxybenzamide
CID 92659125
4-ethoxy-N-[(Z)-(3-iodo-5-methoxy-4-propoxyphenyl)methylideneamino]benzamide
CID 29148846
N-[(E)-[4-[(4-chlorophenyl)methoxy]-3,5-diiodophenyl]methylideneamino]-4-propoxybenzamide
CID 133169429
4-propoxy-N-[(E)-(4-propoxyphenyl)methylideneamino]benzamide
CID 133169717
N-[(Z)-(3-ethoxy-5-iodo-4-prop-2-ynoxyphenyl)methylideneamino]-4-propoxybenzamide
CID 92659188
N-[(Z)-(3-iodo-5-methoxy-4-prop-2-ynoxyphenyl)methylideneamino]-4-propoxybenzamide
CID 92659144
N-[(Z)-[4-[(4-chlorophenyl)methoxy]-3-iodo-5-methoxyphenyl]methylideneamino]-4-propoxybenzamide
CID 99945412
N-[(E)-(3,5-dibromo-4-methylphenyl)methylideneamino]-4-propoxybenzamide
CID 133169560
N-[(E)-[4-[(2-chlorophenyl)methoxy]-3-ethoxy-5-iodophenyl]methylideneamino]-4-propoxybenzamide
CID 133169492
N-[(Z)-(4-methylphenyl)methylideneamino]-4-propoxybenzamide
CID 92658946
3-ethoxy-N-[(E)-(4-ethoxy-3-iodo-5-methoxyphenyl)methylideneamino]-4-propoxybenzamide
CID 126320076

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(3,5-diiodo-4-propan-2-yloxyphenyl)methylideneamino]-4-propoxybenzamide?
The IUPAC name of N-[(Z)-(3,5-diiodo-4-propan-2-yloxyphenyl)methylideneamino]-4-propoxybenzamide (CID 99945386) is N-[(Z)-(3,5-diiodo-4-propan-2-yloxyphenyl)methylideneamino]-4-propoxybenzamide.
What is the SMILES notation for N-[(Z)-(3,5-diiodo-4-propan-2-yloxyphenyl)methylideneamino]-4-propoxybenzamide?
The canonical SMILES for N-[(Z)-(3,5-diiodo-4-propan-2-yloxyphenyl)methylideneamino]-4-propoxybenzamide is CCCOc1ccc(C(=O)N/N=C\c2cc(I)c(OC(C)C)c(I)c2)cc1.
What is the InChIKey of N-[(Z)-(3,5-diiodo-4-propan-2-yloxyphenyl)methylideneamino]-4-propoxybenzamide?
The InChIKey is DQTISEPYVCPDSL-FMCGGJTJSA-N. The full InChI is InChI=1S/C20H22I2N2O3/c1-4-9-26-16-7-5-15(6-8-16)20(25)24-23-12-14-10-17(21)19(18(22)11-14)27-13(2)3/h5-8,10-13H,4,9H2,1-3H3,(H,24,25)/b23-12-.
What are the key properties of N-[(Z)-(3,5-diiodo-4-propan-2-yloxyphenyl)methylideneamino]-4-propoxybenzamide?
N-[(Z)-(3,5-diiodo-4-propan-2-yloxyphenyl)methylideneamino]-4-propoxybenzamide has a molecular weight of 592.22 g/mol, XLogP of 5.24, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(3,5-diiodo-4-propan-2-yloxyphenyl)methylideneamino]-4-propoxybenzamide is sourced from PubChem (CID 99945386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).