[(E)-(2,6-dichlorophenyl)methylideneamino] acetate

C9H7Cl2NO2 — CID 165348151

IUPAC[(E)-(2,6-dichlorophenyl)methylideneamino] acetate
SMILESCC(=O)O/N=C/c1c(Cl)cccc1Cl
InChIInChI=1S/C9H7Cl2NO2/c1-6(13)14-12-5-7-8(10)3-2-4-9(7)11/h2-5H,1H3/b12-5+
InChIKeyXMNDQSMRIMRKKX-LFYBBSHMSA-N
MW232.07 g/mol
LogP2.89
Rot. Bonds2

About [(E)-(2,6-dichlorophenyl)methylideneamino] acetate

[(E)-(2,6-dichlorophenyl)methylideneamino] acetate (PubChem CID 165348151) has the molecular formula C9H7Cl2NO2 and a molecular weight of 232.07 g/mol. Its IUPAC name is [(E)-(2,6-dichlorophenyl)methylideneamino] acetate.

Molecular Properties

Compound Name[(E)-(2,6-dichlorophenyl)methylideneamino] acetate
PubChem CID165348151
Molecular FormulaC9H7Cl2NO2
Molecular Weight232.07 g/mol
Exact Mass230.99
IUPAC Name[(E)-(2,6-dichlorophenyl)methylideneamino] acetate
SMILESCC(=O)O/N=C/c1c(Cl)cccc1Cl
InChIInChI=1S/C9H7Cl2NO2/c1-6(13)14-12-5-7-8(10)3-2-4-9(7)11/h2-5H,1H3/b12-5+
InChIKeyXMNDQSMRIMRKKX-LFYBBSHMSA-N
XLogP2.89
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.07
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[(4-chlorophenyl)methylideneamino] acetate
CID 57215525
2-[(2,6-dichlorophenyl)methylideneamino]oxybutanamide
CID 57093096
[(E)-[5-(2,3-dichlorophenyl)furan-2-yl]methylideneamino] acetate
CID 91674094
4-[(E)-(2,6-dichlorophenyl)methylideneamino]oxybenzoic acid
CID 11174345
S-[[(E)-(2,6-dichlorophenyl)methylideneamino]-methylamino] carbamothioate
CID 175215501
[(Z)-naphthalen-1-ylmethylideneamino] acetate
CID 100995870
[3-chloro-2-[(E)-(diaminomethylidenehydrazinylidene)methyl]phenyl] acetate
CID 146217397
[(2,6-dichlorophenyl)methylideneamino] 2-(2,5-dibromothiophen-3-yl)acetate
CID 3649877
2-[(2,6-dichlorophenyl)methylideneamino]oxy-N-propylacetamide
CID 57192756
(E)-1-(2,6-dichlorophenyl)-N-phenoxymethanimine
CID 11184682
(thiophen-2-ylmethylideneamino) acetate
CID 90903453
[2-[(2,6-dichlorophenyl)methylideneamino]oxyacetyl] 2-aminooxyacetate
CID 173431791

Frequently Asked Questions

What is the IUPAC name of [(E)-(2,6-dichlorophenyl)methylideneamino] acetate?
The IUPAC name of [(E)-(2,6-dichlorophenyl)methylideneamino] acetate (CID 165348151) is [(E)-(2,6-dichlorophenyl)methylideneamino] acetate.
What is the SMILES notation for [(E)-(2,6-dichlorophenyl)methylideneamino] acetate?
The canonical SMILES for [(E)-(2,6-dichlorophenyl)methylideneamino] acetate is CC(=O)O/N=C/c1c(Cl)cccc1Cl.
What is the InChIKey of [(E)-(2,6-dichlorophenyl)methylideneamino] acetate?
The InChIKey is XMNDQSMRIMRKKX-LFYBBSHMSA-N. The full InChI is InChI=1S/C9H7Cl2NO2/c1-6(13)14-12-5-7-8(10)3-2-4-9(7)11/h2-5H,1H3/b12-5+.
What are the key properties of [(E)-(2,6-dichlorophenyl)methylideneamino] acetate?
[(E)-(2,6-dichlorophenyl)methylideneamino] acetate has a molecular weight of 232.07 g/mol, XLogP of 2.89, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-(2,6-dichlorophenyl)methylideneamino] acetate is sourced from PubChem (CID 165348151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).