(NE)-N-[[2-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylidene]hydroxylamine

C15H13Cl2NO3 — CID 42299994

IUPAC(NE)-N-[[2-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylidene]hydroxylamine
SMILESCOc1cccc(/C=N/O)c1OCc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H13Cl2NO3/c1-20-14-4-2-3-11(8-18-19)15(14)21-9-10-5-6-12(16)13(17)7-10/h2-8,19H,9H2,1H3/b18-8+
InChIKeyJLYXIAKWVVXUBA-QGMBQPNBSA-N
MW326.18 g/mol
LogP4.39
Rot. Bonds5

About (NE)-N-[[2-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylidene]hydroxylamine

(NE)-N-[[2-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylidene]hydroxylamine (PubChem CID 42299994) has the molecular formula C15H13Cl2NO3 and a molecular weight of 326.18 g/mol. Its IUPAC name is (NE)-N-[[2-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[[2-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylidene]hydroxylamine
PubChem CID42299994
Molecular FormulaC15H13Cl2NO3
Molecular Weight326.18 g/mol
Exact Mass325.03
IUPAC Name(NE)-N-[[2-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylidene]hydroxylamine
SMILESCOc1cccc(/C=N/O)c1OCc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H13Cl2NO3/c1-20-14-4-2-3-11(8-18-19)15(14)21-9-10-5-6-12(16)13(17)7-10/h2-8,19H,9H2,1H3/b18-8+
InChIKeyJLYXIAKWVVXUBA-QGMBQPNBSA-N
XLogP4.39
TPSA51.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.18
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', '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

[[2-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]thiourea
CID 168534891
N-[[2-[(2,6-dichlorophenyl)methoxy]-3-methoxyphenyl]methylidene]hydroxylamine
CID 22680693
N-[[2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methylidene]hydroxylamine
CID 20984774
(NE)-N-[[2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methylidene]hydroxylamine
CID 42304835
3,4-dichloro-N-[[2-[(3-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]aniline
CID 110840474
N-[[2-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]pyridin-2-amine
CID 110842528
1-[[2-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-4-methylimidazol-2-amine
CID 168629432
2-amino-N-[(E)-[2-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]benzamide
CID 110340321
N-[[2-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-3-nitroaniline
CID 110842221
(NZ)-N-[[2-bromo-4-[(3,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methylidene]hydroxylamine
CID 91689795
(NE)-N-[(2-ethoxy-3-methoxyphenyl)methylidene]hydroxylamine
CID 23722991
(E)-1-cyclopropyl-3-[2-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]prop-2-en-1-one
CID 19558963

Frequently Asked Questions

What is the IUPAC name of (NE)-N-[[2-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylidene]hydroxylamine?
The IUPAC name of (NE)-N-[[2-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylidene]hydroxylamine (CID 42299994) is (NE)-N-[[2-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[[2-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[[2-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylidene]hydroxylamine is COc1cccc(/C=N/O)c1OCc1ccc(Cl)c(Cl)c1.
What is the InChIKey of (NE)-N-[[2-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylidene]hydroxylamine?
The InChIKey is JLYXIAKWVVXUBA-QGMBQPNBSA-N. The full InChI is InChI=1S/C15H13Cl2NO3/c1-20-14-4-2-3-11(8-18-19)15(14)21-9-10-5-6-12(16)13(17)7-10/h2-8,19H,9H2,1H3/b18-8+.
What are the key properties of (NE)-N-[[2-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylidene]hydroxylamine?
(NE)-N-[[2-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylidene]hydroxylamine has a molecular weight of 326.18 g/mol, XLogP of 4.39, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[[2-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylidene]hydroxylamine is sourced from PubChem (CID 42299994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).