(NZ)-N-[[4-[(3,4-dichlorophenyl)methoxy]-3,5-diiodophenyl]methylidene]hydroxylamine

C14H9Cl2I2NO2 — CID 91689806

IUPAC(NZ)-N-[[4-[(3,4-dichlorophenyl)methoxy]-3,5-diiodophenyl]methylidene]hydroxylamine
SMILESO/N=C\c1cc(I)c(OCc2ccc(Cl)c(Cl)c2)c(I)c1
InChIInChI=1S/C14H9Cl2I2NO2/c15-10-2-1-8(3-11(10)16)7-21-14-12(17)4-9(6-19-20)5-13(14)18/h1-6,20H,7H2/b19-6-
InChIKeyAVSVRZVXSAICGA-SWNXQHNESA-N
MW547.95 g/mol
LogP5.59
Rot. Bonds4

About (NZ)-N-[[4-[(3,4-dichlorophenyl)methoxy]-3,5-diiodophenyl]methylidene]hydroxylamine

(NZ)-N-[[4-[(3,4-dichlorophenyl)methoxy]-3,5-diiodophenyl]methylidene]hydroxylamine (PubChem CID 91689806) has the molecular formula C14H9Cl2I2NO2 and a molecular weight of 547.95 g/mol. Its IUPAC name is (NZ)-N-[[4-[(3,4-dichlorophenyl)methoxy]-3,5-diiodophenyl]methylidene]hydroxylamine.

Molecular Properties

Compound Name(NZ)-N-[[4-[(3,4-dichlorophenyl)methoxy]-3,5-diiodophenyl]methylidene]hydroxylamine
PubChem CID91689806
Molecular FormulaC14H9Cl2I2NO2
Molecular Weight547.95 g/mol
Exact Mass546.81
IUPAC Name(NZ)-N-[[4-[(3,4-dichlorophenyl)methoxy]-3,5-diiodophenyl]methylidene]hydroxylamine
SMILESO/N=C\c1cc(I)c(OCc2ccc(Cl)c(Cl)c2)c(I)c1
InChIInChI=1S/C14H9Cl2I2NO2/c15-10-2-1-8(3-11(10)16)7-21-14-12(17)4-9(6-19-20)5-13(14)18/h1-6,20H,7H2/b19-6-
InChIKeyAVSVRZVXSAICGA-SWNXQHNESA-N
XLogP5.59
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500547.95
LogP ≤ 55.59
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': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(NE)-N-[[3-[(3,4-dichlorophenyl)methoxy]phenyl]methylidene]hydroxylamine
CID 42233568
(NZ)-N-[[3,5-dichloro-4-[(4-chlorophenyl)methoxy]phenyl]methylidene]hydroxylamine
CID 99968453
(NZ)-N-[[3,5-dichloro-4-[(4-fluorophenyl)methoxy]phenyl]methylidene]hydroxylamine
CID 99968463
3,5-dichloro-4-[(3,4-dichlorophenyl)methoxy]phenol
CID 54127176
[4-[(3,4-dichlorophenyl)methoxy]-3-iodo-5-methoxyphenyl]methanol
CID 1319055
(NE)-N-[[2-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylidene]hydroxylamine
CID 42299994
(NE)-N-[[3,5-dichloro-4-[(3-fluorophenyl)methoxy]phenyl]methylidene]hydroxylamine
CID 91682760
N-[[4-[(2-chlorophenyl)methoxy]-3-iodo-5-methoxyphenyl]methylidene]hydroxylamine
CID 1311678
(NZ)-N-[[3-iodo-5-methoxy-4-(pyridin-3-ylmethoxy)phenyl]methylidene]hydroxylamine
CID 91682653
6-bromo-3-[[4-[(3,4-dichlorophenyl)methoxy]-3,5-diiodophenyl]methylideneamino]-2-methylquinazolin-4-one
CID 126289190
2-[(3,4-dichlorophenyl)methoxy]-1-ethoxy-3-iodo-5-[(Z)-2-nitroethenyl]benzene
CID 126093911
N-[(Z)-[4-[(3,4-dichlorophenyl)methoxy]-3-iodo-5-methoxyphenyl]methylideneamino]-3-methoxynaphthalene-2-carboxamide
CID 126378497

Frequently Asked Questions

What is the IUPAC name of (NZ)-N-[[4-[(3,4-dichlorophenyl)methoxy]-3,5-diiodophenyl]methylidene]hydroxylamine?
The IUPAC name of (NZ)-N-[[4-[(3,4-dichlorophenyl)methoxy]-3,5-diiodophenyl]methylidene]hydroxylamine (CID 91689806) is (NZ)-N-[[4-[(3,4-dichlorophenyl)methoxy]-3,5-diiodophenyl]methylidene]hydroxylamine.
What is the SMILES notation for (NZ)-N-[[4-[(3,4-dichlorophenyl)methoxy]-3,5-diiodophenyl]methylidene]hydroxylamine?
The canonical SMILES for (NZ)-N-[[4-[(3,4-dichlorophenyl)methoxy]-3,5-diiodophenyl]methylidene]hydroxylamine is O/N=C\c1cc(I)c(OCc2ccc(Cl)c(Cl)c2)c(I)c1.
What is the InChIKey of (NZ)-N-[[4-[(3,4-dichlorophenyl)methoxy]-3,5-diiodophenyl]methylidene]hydroxylamine?
The InChIKey is AVSVRZVXSAICGA-SWNXQHNESA-N. The full InChI is InChI=1S/C14H9Cl2I2NO2/c15-10-2-1-8(3-11(10)16)7-21-14-12(17)4-9(6-19-20)5-13(14)18/h1-6,20H,7H2/b19-6-.
What are the key properties of (NZ)-N-[[4-[(3,4-dichlorophenyl)methoxy]-3,5-diiodophenyl]methylidene]hydroxylamine?
(NZ)-N-[[4-[(3,4-dichlorophenyl)methoxy]-3,5-diiodophenyl]methylidene]hydroxylamine has a molecular weight of 547.95 g/mol, XLogP of 5.59, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-[[4-[(3,4-dichlorophenyl)methoxy]-3,5-diiodophenyl]methylidene]hydroxylamine is sourced from PubChem (CID 91689806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).