N-[(4-chloro-2-methoxyphenyl)methylidene]hydroxylamine

C8H8ClNO2 — CID 71832955

IUPACN-[(4-chloro-2-methoxyphenyl)methylidene]hydroxylamine
SMILESCOc1cc(Cl)ccc1C=NO
InChIInChI=1S/C8H8ClNO2/c1-12-8-4-7(9)3-2-6(8)5-10-11/h2-5,11H,1H3
InChIKeyXEBQIYNTXZCUCV-UHFFFAOYSA-N
MW185.61 g/mol
LogP2.16
Rot. Bonds2

About N-[(4-chloro-2-methoxyphenyl)methylidene]hydroxylamine

N-[(4-chloro-2-methoxyphenyl)methylidene]hydroxylamine (PubChem CID 71832955) has the molecular formula C8H8ClNO2 and a molecular weight of 185.61 g/mol. Its IUPAC name is N-[(4-chloro-2-methoxyphenyl)methylidene]hydroxylamine.

Molecular Properties

Compound NameN-[(4-chloro-2-methoxyphenyl)methylidene]hydroxylamine
PubChem CID71832955
Molecular FormulaC8H8ClNO2
Molecular Weight185.61 g/mol
Exact Mass185.02
IUPAC NameN-[(4-chloro-2-methoxyphenyl)methylidene]hydroxylamine
SMILESCOc1cc(Cl)ccc1C=NO
InChIInChI=1S/C8H8ClNO2/c1-12-8-4-7(9)3-2-6(8)5-10-11/h2-5,11H,1H3
InChIKeyXEBQIYNTXZCUCV-UHFFFAOYSA-N
XLogP2.16
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.61
LogP ≤ 52.16
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-[(2,5-dichloro-3-methoxyphenyl)methylidene]hydroxylamine
CID 87389485
(NE)-N-[(4-chloro-5-fluoro-2-methoxyphenyl)methylidene]hydroxylamine
CID 169127326
4-[(E)-hydroxyiminomethyl]-3-methoxybenzonitrile
CID 16659220
(NE)-N-[(5-chloro-2-fluorophenyl)methylidene]hydroxylamine
CID 22226003
(NE)-N-[(2-bromo-5-chlorophenyl)methylidene]hydroxylamine
CID 59052755
4-chloro-2-[(E)-[(4-chlorophenyl)hydrazinylidene]methyl]-6-methoxyphenol
CID 135567955
N-[(2,5-dimethoxyphenyl)methylidene]hydroxylamine
CID 2755791
methyl 4-(4-chloro-2-methoxyphenyl)but-3-enoate
CID 170500761
(NE)-N-[(5-chloro-2-hexoxyphenyl)methylidene]hydroxylamine
CID 42184829
CID 175597573
CID 175597573
N-[[3-[2-(2,4-dichlorophenoxy)ethoxy]-4-methoxyphenyl]methylidene]hydroxylamine
CID 22679937
2-[4-chloro-2-[(E)-hydroxyiminomethyl]phenoxy]-N-(2-methoxyphenyl)acetamide
CID 124554760

Frequently Asked Questions

What is the IUPAC name of N-[(4-chloro-2-methoxyphenyl)methylidene]hydroxylamine?
The IUPAC name of N-[(4-chloro-2-methoxyphenyl)methylidene]hydroxylamine (CID 71832955) is N-[(4-chloro-2-methoxyphenyl)methylidene]hydroxylamine.
What is the SMILES notation for N-[(4-chloro-2-methoxyphenyl)methylidene]hydroxylamine?
The canonical SMILES for N-[(4-chloro-2-methoxyphenyl)methylidene]hydroxylamine is COc1cc(Cl)ccc1C=NO.
What is the InChIKey of N-[(4-chloro-2-methoxyphenyl)methylidene]hydroxylamine?
The InChIKey is XEBQIYNTXZCUCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClNO2/c1-12-8-4-7(9)3-2-6(8)5-10-11/h2-5,11H,1H3.
What are the key properties of N-[(4-chloro-2-methoxyphenyl)methylidene]hydroxylamine?
N-[(4-chloro-2-methoxyphenyl)methylidene]hydroxylamine has a molecular weight of 185.61 g/mol, XLogP of 2.16, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chloro-2-methoxyphenyl)methylidene]hydroxylamine is sourced from PubChem (CID 71832955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).