[(E)-[chloro-(4-methoxyphenyl)methylidene]amino] acetate

C10H10ClNO3 — CID 88820123

IUPAC[(E)-[chloro-(4-methoxyphenyl)methylidene]amino] acetate
SMILESCOc1ccc(/C(Cl)=N\OC(C)=O)cc1
InChIInChI=1S/C10H10ClNO3/c1-7(13)15-12-10(11)8-3-5-9(14-2)6-4-8/h3-6H,1-2H3/b12-10+
InChIKeyCFTKBXYGICMWLE-ZRDIBKRKSA-N
MW227.65 g/mol
LogP2.16
Rot. Bonds3

About [(E)-[chloro-(4-methoxyphenyl)methylidene]amino] acetate

[(E)-[chloro-(4-methoxyphenyl)methylidene]amino] acetate (PubChem CID 88820123) has the molecular formula C10H10ClNO3 and a molecular weight of 227.65 g/mol. Its IUPAC name is [(E)-[chloro-(4-methoxyphenyl)methylidene]amino] acetate.

Molecular Properties

Compound Name[(E)-[chloro-(4-methoxyphenyl)methylidene]amino] acetate
PubChem CID88820123
Molecular FormulaC10H10ClNO3
Molecular Weight227.65 g/mol
Exact Mass227.03
IUPAC Name[(E)-[chloro-(4-methoxyphenyl)methylidene]amino] acetate
SMILESCOc1ccc(/C(Cl)=N\OC(C)=O)cc1
InChIInChI=1S/C10H10ClNO3/c1-7(13)15-12-10(11)8-3-5-9(14-2)6-4-8/h3-6H,1-2H3/b12-10+
InChIKeyCFTKBXYGICMWLE-ZRDIBKRKSA-N
XLogP2.16
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.65
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

[[2-(4-methoxyphenyl)-2-oxo-1-phenylethylidene]amino] acetate
CID 72596234
4-methoxybenzenecarbohydrazonoyl chloride
CID 175972559
N-ethyl-4-methoxybenzenecarboximidoyl chloride
CID 18948655
1-(4-methoxyphenyl)ethanone;hydrochloride
CID 23164565
(1Z)-4-methoxy-N-(trifluoromethylsulfonyl)benzenecarboximidoyl chloride
CID 23281221
[(Z)-[amino-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]methylidene]amino] acetate
CID 53243732
[(E)-[chloro-(2-chlorophenyl)methylidene]amino] acetate
CID 88744854
N-(4-chlorophenyl)-4-methoxybenzenecarboximidoyl chloride
CID 24827368
[(E)-[1-(4-methoxyphenyl)-2-(4-nitrophenyl)ethylidene]amino] acetate
CID 7244988
[4-[4-(4-methoxybenzoyl)benzoyl]phenyl]-(4-methylphenyl)methanone
CID 90306891
[(E)-[amino-(4-methylphenyl)methylidene]amino] acetate
CID 11401281
[(E)-[amino(methoxy)methylidene]amino] 4-methoxybenzoate
CID 10353566

Frequently Asked Questions

What is the IUPAC name of [(E)-[chloro-(4-methoxyphenyl)methylidene]amino] acetate?
The IUPAC name of [(E)-[chloro-(4-methoxyphenyl)methylidene]amino] acetate (CID 88820123) is [(E)-[chloro-(4-methoxyphenyl)methylidene]amino] acetate.
What is the SMILES notation for [(E)-[chloro-(4-methoxyphenyl)methylidene]amino] acetate?
The canonical SMILES for [(E)-[chloro-(4-methoxyphenyl)methylidene]amino] acetate is COc1ccc(/C(Cl)=N\OC(C)=O)cc1.
What is the InChIKey of [(E)-[chloro-(4-methoxyphenyl)methylidene]amino] acetate?
The InChIKey is CFTKBXYGICMWLE-ZRDIBKRKSA-N. The full InChI is InChI=1S/C10H10ClNO3/c1-7(13)15-12-10(11)8-3-5-9(14-2)6-4-8/h3-6H,1-2H3/b12-10+.
What are the key properties of [(E)-[chloro-(4-methoxyphenyl)methylidene]amino] acetate?
[(E)-[chloro-(4-methoxyphenyl)methylidene]amino] acetate has a molecular weight of 227.65 g/mol, XLogP of 2.16, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-[chloro-(4-methoxyphenyl)methylidene]amino] acetate is sourced from PubChem (CID 88820123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).