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

C14H11Cl2NO2 — CID 42233568

IUPAC(NE)-N-[[3-[(3,4-dichlorophenyl)methoxy]phenyl]methylidene]hydroxylamine
SMILESO/N=C/c1cccc(OCc2ccc(Cl)c(Cl)c2)c1
InChIInChI=1S/C14H11Cl2NO2/c15-13-5-4-11(7-14(13)16)9-19-12-3-1-2-10(6-12)8-17-18/h1-8,18H,9H2/b17-8+
InChIKeyIBTFSZSGYKBBGA-CAOOACKPSA-N
MW296.15 g/mol
LogP4.38
Rot. Bonds4

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

(NE)-N-[[3-[(3,4-dichlorophenyl)methoxy]phenyl]methylidene]hydroxylamine (PubChem CID 42233568) has the molecular formula C14H11Cl2NO2 and a molecular weight of 296.15 g/mol. Its IUPAC name is (NE)-N-[[3-[(3,4-dichlorophenyl)methoxy]phenyl]methylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[[3-[(3,4-dichlorophenyl)methoxy]phenyl]methylidene]hydroxylamine
PubChem CID42233568
Molecular FormulaC14H11Cl2NO2
Molecular Weight296.15 g/mol
Exact Mass295.02
IUPAC Name(NE)-N-[[3-[(3,4-dichlorophenyl)methoxy]phenyl]methylidene]hydroxylamine
SMILESO/N=C/c1cccc(OCc2ccc(Cl)c(Cl)c2)c1
InChIInChI=1S/C14H11Cl2NO2/c15-13-5-4-11(7-14(13)16)9-19-12-3-1-2-10(6-12)8-17-18/h1-8,18H,9H2/b17-8+
InChIKeyIBTFSZSGYKBBGA-CAOOACKPSA-N
XLogP4.38
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.15
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

(NZ)-N-[[3-[(4-chlorophenyl)methoxy]phenyl]methylidene]hydroxylamine
CID 91681560
N-[[3-[(3-chlorophenyl)methoxy]phenyl]methylidene]hydroxylamine
CID 22685923
[(E)-[3-[(3,4-dichlorophenyl)methoxy]phenyl]methylideneamino]thiourea
CID 110340789
N-[[3-[(3,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-1-phenylmethanamine
CID 110839693
N-[[3-[(2-chlorophenyl)methoxy]phenyl]methylidene]hydroxylamine
CID 20987989
N-[[3-[(2-chloro-6-fluorophenyl)methoxy]phenyl]methylidene]hydroxylamine
CID 20989770
(NZ)-N-[[4-[(3,4-dichlorophenyl)methoxy]-3,5-diiodophenyl]methylidene]hydroxylamine
CID 91689806
methyl (E)-3-[3-[(3,4-dichlorophenyl)methoxy]phenyl]prop-2-enoate
CID 91685556
(NZ)-N-[[3-(pyridin-2-ylmethoxy)phenyl]methylidene]hydroxylamine
CID 29021936
2-[[3-[(4-chloro-3-fluorophenyl)methoxy]phenyl]methylideneamino]guanidine
CID 168590804
N-(4-bromophenyl)-N'-[(Z)-[3-[(3,4-dichlorophenyl)methoxy]phenyl]methylideneamino]pentanediamide
CID 126159543
(NE)-N-[[2-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylidene]hydroxylamine
CID 42299994

Frequently Asked Questions

What is the IUPAC name of (NE)-N-[[3-[(3,4-dichlorophenyl)methoxy]phenyl]methylidene]hydroxylamine?
The IUPAC name of (NE)-N-[[3-[(3,4-dichlorophenyl)methoxy]phenyl]methylidene]hydroxylamine (CID 42233568) is (NE)-N-[[3-[(3,4-dichlorophenyl)methoxy]phenyl]methylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[[3-[(3,4-dichlorophenyl)methoxy]phenyl]methylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[[3-[(3,4-dichlorophenyl)methoxy]phenyl]methylidene]hydroxylamine is O/N=C/c1cccc(OCc2ccc(Cl)c(Cl)c2)c1.
What is the InChIKey of (NE)-N-[[3-[(3,4-dichlorophenyl)methoxy]phenyl]methylidene]hydroxylamine?
The InChIKey is IBTFSZSGYKBBGA-CAOOACKPSA-N. The full InChI is InChI=1S/C14H11Cl2NO2/c15-13-5-4-11(7-14(13)16)9-19-12-3-1-2-10(6-12)8-17-18/h1-8,18H,9H2/b17-8+.
What are the key properties of (NE)-N-[[3-[(3,4-dichlorophenyl)methoxy]phenyl]methylidene]hydroxylamine?
(NE)-N-[[3-[(3,4-dichlorophenyl)methoxy]phenyl]methylidene]hydroxylamine has a molecular weight of 296.15 g/mol, XLogP of 4.38, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[[3-[(3,4-dichlorophenyl)methoxy]phenyl]methylidene]hydroxylamine is sourced from PubChem (CID 42233568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).