(NZ)-N-[(2,5-dichloro-4-methoxyphenyl)-(2-fluorophenyl)methylidene]hydroxylamine

C14H10Cl2FNO2 — CID 14012586

IUPAC(NZ)-N-[(2,5-dichloro-4-methoxyphenyl)-(2-fluorophenyl)methylidene]hydroxylamine
SMILESCOc1cc(Cl)c(/C(=N\O)c2ccccc2F)cc1Cl
InChIInChI=1S/C14H10Cl2FNO2/c1-20-13-7-10(15)9(6-11(13)16)14(18-19)8-4-2-3-5-12(8)17/h2-7,19H,1H3/b18-14-
InChIKeyIWZZMSIFXHJIJA-JXAWBTAJSA-N
MW314.14 g/mol
LogP4.37
Rot. Bonds3

About (NZ)-N-[(2,5-dichloro-4-methoxyphenyl)-(2-fluorophenyl)methylidene]hydroxylamine

(NZ)-N-[(2,5-dichloro-4-methoxyphenyl)-(2-fluorophenyl)methylidene]hydroxylamine (PubChem CID 14012586) has the molecular formula C14H10Cl2FNO2 and a molecular weight of 314.14 g/mol. Its IUPAC name is (NZ)-N-[(2,5-dichloro-4-methoxyphenyl)-(2-fluorophenyl)methylidene]hydroxylamine.

Molecular Properties

Compound Name(NZ)-N-[(2,5-dichloro-4-methoxyphenyl)-(2-fluorophenyl)methylidene]hydroxylamine
PubChem CID14012586
Molecular FormulaC14H10Cl2FNO2
Molecular Weight314.14 g/mol
Exact Mass313.01
IUPAC Name(NZ)-N-[(2,5-dichloro-4-methoxyphenyl)-(2-fluorophenyl)methylidene]hydroxylamine
SMILESCOc1cc(Cl)c(/C(=N\O)c2ccccc2F)cc1Cl
InChIInChI=1S/C14H10Cl2FNO2/c1-20-13-7-10(15)9(6-11(13)16)14(18-19)8-4-2-3-5-12(8)17/h2-7,19H,1H3/b18-14-
InChIKeyIWZZMSIFXHJIJA-JXAWBTAJSA-N
XLogP4.37
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.14
LogP ≤ 54.37
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

1-(5-chloro-2-methoxyphenyl)-1-(2-fluorophenyl)-N-propylmethanimine
CID 88725639
N-(5-chloro-2,4-dimethoxyphenyl)-2-fluorobenzamide
CID 836294
2,3-dichloro-4-[(E)-C-(2-fluorophenyl)-N-hydroxycarbonimidoyl]phenol
CID 137239062
(3-chloro-4,5-dimethoxyphenyl)-(2-fluorophenyl)methanone
CID 62502800
(2-chloro-4,5-dimethoxyphenyl)-(2,3-difluorophenyl)methanone
CID 62649157
2,5-dichloro-N-(3-fluoro-4-methoxyphenyl)-4-methoxybenzamide
CID 167851526
(5-chloro-2-hydroxy-4-methoxyphenyl)-(2-hydroxyphenyl)methanone
CID 162345424
N-[(2-chloro-4,5-dimethoxyphenyl)methyl]-2-fluorobenzamide
CID 54785477
4-chloro-2-fluoro-5-methoxyphenol
CID 91801475
5-chloro-2-fluoro-4-methoxyphenol
CID 84655771
(NE)-N-[(2-methoxyphenyl)-phenylmethylidene]hydroxylamine
CID 14927109
(2-chloro-4-fluorophenyl)-(2-methoxyphenyl)methanone
CID 62946338

Frequently Asked Questions

What is the IUPAC name of (NZ)-N-[(2,5-dichloro-4-methoxyphenyl)-(2-fluorophenyl)methylidene]hydroxylamine?
The IUPAC name of (NZ)-N-[(2,5-dichloro-4-methoxyphenyl)-(2-fluorophenyl)methylidene]hydroxylamine (CID 14012586) is (NZ)-N-[(2,5-dichloro-4-methoxyphenyl)-(2-fluorophenyl)methylidene]hydroxylamine.
What is the SMILES notation for (NZ)-N-[(2,5-dichloro-4-methoxyphenyl)-(2-fluorophenyl)methylidene]hydroxylamine?
The canonical SMILES for (NZ)-N-[(2,5-dichloro-4-methoxyphenyl)-(2-fluorophenyl)methylidene]hydroxylamine is COc1cc(Cl)c(/C(=N\O)c2ccccc2F)cc1Cl.
What is the InChIKey of (NZ)-N-[(2,5-dichloro-4-methoxyphenyl)-(2-fluorophenyl)methylidene]hydroxylamine?
The InChIKey is IWZZMSIFXHJIJA-JXAWBTAJSA-N. The full InChI is InChI=1S/C14H10Cl2FNO2/c1-20-13-7-10(15)9(6-11(13)16)14(18-19)8-4-2-3-5-12(8)17/h2-7,19H,1H3/b18-14-.
What are the key properties of (NZ)-N-[(2,5-dichloro-4-methoxyphenyl)-(2-fluorophenyl)methylidene]hydroxylamine?
(NZ)-N-[(2,5-dichloro-4-methoxyphenyl)-(2-fluorophenyl)methylidene]hydroxylamine has a molecular weight of 314.14 g/mol, XLogP of 4.37, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-[(2,5-dichloro-4-methoxyphenyl)-(2-fluorophenyl)methylidene]hydroxylamine is sourced from PubChem (CID 14012586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).