N-[[4-(4-chlorophenoxy)phenyl]methylidene]hydroxylamine

C13H10ClNO2 — CID 20987314

IUPACN-[[4-(4-chlorophenoxy)phenyl]methylidene]hydroxylamine
SMILESON=Cc1ccc(Oc2ccc(Cl)cc2)cc1
InChIInChI=1S/C13H10ClNO2/c14-11-3-7-13(8-4-11)17-12-5-1-10(2-6-12)9-15-16/h1-9,16H
InChIKeyXLAAMNHYXQWXPI-UHFFFAOYSA-N
MW247.68 g/mol
LogP3.94
Rot. Bonds3

About N-[[4-(4-chlorophenoxy)phenyl]methylidene]hydroxylamine

N-[[4-(4-chlorophenoxy)phenyl]methylidene]hydroxylamine (PubChem CID 20987314) has the molecular formula C13H10ClNO2 and a molecular weight of 247.68 g/mol. Its IUPAC name is N-[[4-(4-chlorophenoxy)phenyl]methylidene]hydroxylamine.

Molecular Properties

Compound NameN-[[4-(4-chlorophenoxy)phenyl]methylidene]hydroxylamine
PubChem CID20987314
Molecular FormulaC13H10ClNO2
Molecular Weight247.68 g/mol
Exact Mass247.04
IUPAC NameN-[[4-(4-chlorophenoxy)phenyl]methylidene]hydroxylamine
SMILESON=Cc1ccc(Oc2ccc(Cl)cc2)cc1
InChIInChI=1S/C13H10ClNO2/c14-11-3-7-13(8-4-11)17-12-5-1-10(2-6-12)9-15-16/h1-9,16H
InChIKeyXLAAMNHYXQWXPI-UHFFFAOYSA-N
XLogP3.94
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.68
LogP ≤ 53.94
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

carbanide;(NE)-N-[(4-chlorophenyl)methylidene]hydroxylamine;yttrium
CID 178127818
(NE)-N-[[4-[(4-chlorophenyl)methoxy]phenyl]methylidene]hydroxylamine
CID 5350180
1,4-bis(4-chlorophenoxy)benzene
CID 10996522
N-[[4-(4-chlorophenoxy)-3-nitrophenyl]methylidene]hydroxylamine
CID 1476960
N-[(4-bromophenyl)methylideneamino]-4-(4-chlorophenoxy)aniline
CID 167431722
(NE)-N-[(4-trimethylsilyloxyphenyl)methylidene]hydroxylamine
CID 11148487
N-[[4-[2-(4-chlorophenoxy)ethoxy]-3-ethoxyphenyl]methylidene]hydroxylamine
CID 20989891
[4-(hydroxyiminomethyl)phenyl] 2-chlorobenzoate
CID 880858
[4-[(E)-hydroxyiminomethyl]phenyl] 2-chlorobenzoate
CID 6897896
(NE)-N-[[4-[(2,3,6-trichlorophenyl)methoxy]phenyl]methylidene]hydroxylamine
CID 42303354
3-[4-(4-chlorophenoxy)phenyl]prop-2-en-1-amine
CID 56978617
(NZ)-N-[[3-(4-methoxyphenoxy)phenyl]methylidene]hydroxylamine
CID 59496691

Frequently Asked Questions

What is the IUPAC name of N-[[4-(4-chlorophenoxy)phenyl]methylidene]hydroxylamine?
The IUPAC name of N-[[4-(4-chlorophenoxy)phenyl]methylidene]hydroxylamine (CID 20987314) is N-[[4-(4-chlorophenoxy)phenyl]methylidene]hydroxylamine.
What is the SMILES notation for N-[[4-(4-chlorophenoxy)phenyl]methylidene]hydroxylamine?
The canonical SMILES for N-[[4-(4-chlorophenoxy)phenyl]methylidene]hydroxylamine is ON=Cc1ccc(Oc2ccc(Cl)cc2)cc1.
What is the InChIKey of N-[[4-(4-chlorophenoxy)phenyl]methylidene]hydroxylamine?
The InChIKey is XLAAMNHYXQWXPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClNO2/c14-11-3-7-13(8-4-11)17-12-5-1-10(2-6-12)9-15-16/h1-9,16H.
What are the key properties of N-[[4-(4-chlorophenoxy)phenyl]methylidene]hydroxylamine?
N-[[4-(4-chlorophenoxy)phenyl]methylidene]hydroxylamine has a molecular weight of 247.68 g/mol, XLogP of 3.94, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(4-chlorophenoxy)phenyl]methylidene]hydroxylamine is sourced from PubChem (CID 20987314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).