N-[[5-(2,4-dichlorophenyl)furan-2-yl]methylidene]hydroxylamine

C11H7Cl2NO2 — CID 73164714

IUPACN-[[5-(2,4-dichlorophenyl)furan-2-yl]methylidene]hydroxylamine
SMILESON=Cc1ccc(-c2ccc(Cl)cc2Cl)o1
InChIInChI=1S/C11H7Cl2NO2/c12-7-1-3-9(10(13)5-7)11-4-2-8(16-11)6-14-15/h1-6,15H
InChIKeyMDEHSWABEBQZON-UHFFFAOYSA-N
MW256.09 g/mol
LogP4.06
Rot. Bonds2

About N-[[5-(2,4-dichlorophenyl)furan-2-yl]methylidene]hydroxylamine

N-[[5-(2,4-dichlorophenyl)furan-2-yl]methylidene]hydroxylamine (PubChem CID 73164714) has the molecular formula C11H7Cl2NO2 and a molecular weight of 256.09 g/mol. Its IUPAC name is N-[[5-(2,4-dichlorophenyl)furan-2-yl]methylidene]hydroxylamine.

Molecular Properties

Compound NameN-[[5-(2,4-dichlorophenyl)furan-2-yl]methylidene]hydroxylamine
PubChem CID73164714
Molecular FormulaC11H7Cl2NO2
Molecular Weight256.09 g/mol
Exact Mass254.99
IUPAC NameN-[[5-(2,4-dichlorophenyl)furan-2-yl]methylidene]hydroxylamine
SMILESON=Cc1ccc(-c2ccc(Cl)cc2Cl)o1
InChIInChI=1S/C11H7Cl2NO2/c12-7-1-3-9(10(13)5-7)11-4-2-8(16-11)6-14-15/h1-6,15H
InChIKeyMDEHSWABEBQZON-UHFFFAOYSA-N
XLogP4.06
TPSA45.73 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.09
LogP ≤ 54.06
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

N-[(Z)-[5-(2,4-dichlorophenyl)furan-2-yl]methylideneamino]-4-nitroaniline
CID 6063608
1-[[5-(2,4-dichlorophenyl)furan-2-yl]methylideneamino]-2-nitroguanidine
CID 136832205
(E)-4-[5-(2,4-dichlorophenyl)furan-2-yl]but-3-en-2-one
CID 50884913
(NZ)-N-[[5-(3,4-dichlorophenyl)furan-2-yl]methylidene]hydroxylamine
CID 5343283
1-[[5-(2,4-dichlorophenyl)furan-2-yl]methylideneamino]-1-(2-hydroxyethyl)thiourea
CID 87653724
(Z)-3-[5-(2,4-dichlorophenyl)furan-2-yl]-2-sulfanylprop-2-enoic acid
CID 43839856
(NZ)-N-[[5-[2-chloro-5-(trifluoromethyl)phenyl]furan-2-yl]methylidene]hydroxylamine
CID 28689333
1-[5-(2,4-dichlorophenyl)furan-2-yl]-N-(4-ethoxyphenyl)methanimine
CID 3098706
dimethyl 2-[[5-(2,4-dichlorophenyl)furan-2-yl]methylidene]propanedioate
CID 24780934
2-(2,4-dichlorophenyl)-5-(2-nitro-2-phenylethenyl)furan
CID 2911165
(NE)-N-[[5-(2-bromo-4-methylphenyl)furan-2-yl]methylidene]hydroxylamine
CID 50879288
4-[(E)-[5-(2,4-dichlorophenyl)furan-2-yl]methylideneamino]-3-methyl-1H-1,2,4-triazole-5-thione
CID 10498243

Frequently Asked Questions

What is the IUPAC name of N-[[5-(2,4-dichlorophenyl)furan-2-yl]methylidene]hydroxylamine?
The IUPAC name of N-[[5-(2,4-dichlorophenyl)furan-2-yl]methylidene]hydroxylamine (CID 73164714) is N-[[5-(2,4-dichlorophenyl)furan-2-yl]methylidene]hydroxylamine.
What is the SMILES notation for N-[[5-(2,4-dichlorophenyl)furan-2-yl]methylidene]hydroxylamine?
The canonical SMILES for N-[[5-(2,4-dichlorophenyl)furan-2-yl]methylidene]hydroxylamine is ON=Cc1ccc(-c2ccc(Cl)cc2Cl)o1.
What is the InChIKey of N-[[5-(2,4-dichlorophenyl)furan-2-yl]methylidene]hydroxylamine?
The InChIKey is MDEHSWABEBQZON-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7Cl2NO2/c12-7-1-3-9(10(13)5-7)11-4-2-8(16-11)6-14-15/h1-6,15H.
What are the key properties of N-[[5-(2,4-dichlorophenyl)furan-2-yl]methylidene]hydroxylamine?
N-[[5-(2,4-dichlorophenyl)furan-2-yl]methylidene]hydroxylamine has a molecular weight of 256.09 g/mol, XLogP of 4.06, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2,4-dichlorophenyl)furan-2-yl]methylidene]hydroxylamine is sourced from PubChem (CID 73164714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).