2-[4-[(Z)-[[2-(2-chloroanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenoxy]acetate

C17H13ClN3O5- — CID 7016859

IUPAC2-[4-[(Z)-[[2-(2-chloroanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenoxy]acetate
SMILESO=C([O-])COc1ccc(/C=N\NC(=O)C(=O)Nc2ccccc2Cl)cc1
InChIInChI=1S/C17H14ClN3O5/c18-13-3-1-2-4-14(13)20-16(24)17(25)21-19-9-11-5-7-12(8-6-11)26-10-15(22)23/h1-9H,10H2,(H,20,24)(H,21,25)(H,22,23)/p-1/b19-9-
InChIKeyMWCHVHSNNRRGEN-OCKHKDLRSA-M
MW374.76 g/mol
LogP0.56
Rot. Bonds6

About 2-[4-[(Z)-[[2-(2-chloroanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenoxy]acetate

2-[4-[(Z)-[[2-(2-chloroanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenoxy]acetate (PubChem CID 7016859) has the molecular formula C17H13ClN3O5- and a molecular weight of 374.76 g/mol. Its IUPAC name is 2-[4-[(Z)-[[2-(2-chloroanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenoxy]acetate.

Molecular Properties

Compound Name2-[4-[(Z)-[[2-(2-chloroanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenoxy]acetate
PubChem CID7016859
Molecular FormulaC17H13ClN3O5-
Molecular Weight374.76 g/mol
Exact Mass374.05
IUPAC Name2-[4-[(Z)-[[2-(2-chloroanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenoxy]acetate
SMILESO=C([O-])COc1ccc(/C=N\NC(=O)C(=O)Nc2ccccc2Cl)cc1
InChIInChI=1S/C17H14ClN3O5/c18-13-3-1-2-4-14(13)20-16(24)17(25)21-19-9-11-5-7-12(8-6-11)26-10-15(22)23/h1-9H,10H2,(H,20,24)(H,21,25)(H,22,23)/p-1/b19-9-
InChIKeyMWCHVHSNNRRGEN-OCKHKDLRSA-M
XLogP0.56
TPSA119.92 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.76
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N'-[(Z)-[4-[2-(2-chloroanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(2-methylphenyl)oxamide
CID 94832973
N-(2-chlorophenyl)-N'-[(Z)-[4-[2-(cyclohexylamino)-2-oxoethoxy]phenyl]methylideneamino]oxamide
CID 94863613
N'-[(Z)-[4-[2-(2,3-dichloroanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(2-ethylphenyl)oxamide
CID 126265471
N-(2,3-dichlorophenyl)-N'-[(Z)-[4-[2-(2-ethylanilino)-2-oxoethoxy]phenyl]methylideneamino]oxamide
CID 126276766
ethyl 4-[[2-[(2Z)-2-[[4-[2-(2-chloroanilino)-2-oxoethoxy]phenyl]methylidene]hydrazinyl]-2-oxoacetyl]amino]benzoate
CID 94863679
N'-[(Z)-[4-[2-(2-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(2-methylphenyl)oxamide
CID 126181865
N-(2,3-dichlorophenyl)-N'-[(Z)-(4-prop-2-enoxyphenyl)methylideneamino]oxamide
CID 8989336
N-(2-chlorophenyl)-N'-[(E)-(4-propan-2-ylphenyl)methylideneamino]oxamide
CID 46741746
N'-[(Z)-[4-[2-(3-chloro-2-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(2-methoxyphenyl)oxamide
CID 126160920
N'-[(Z)-[4-[2-(2,4-dichloroanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(2-ethylphenyl)oxamide
CID 126265333
2-[2-chloro-4-[(Z)-[[2-(2-chloroanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenoxy]acetic acid
CID 8989828
N-(2,3-dichlorophenyl)-N'-[(Z)-[4-[2-(2,6-dimethylanilino)-2-oxoethoxy]phenyl]methylideneamino]oxamide
CID 41020309

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(Z)-[[2-(2-chloroanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenoxy]acetate?
The IUPAC name of 2-[4-[(Z)-[[2-(2-chloroanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenoxy]acetate (CID 7016859) is 2-[4-[(Z)-[[2-(2-chloroanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenoxy]acetate.
What is the SMILES notation for 2-[4-[(Z)-[[2-(2-chloroanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenoxy]acetate?
The canonical SMILES for 2-[4-[(Z)-[[2-(2-chloroanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenoxy]acetate is O=C([O-])COc1ccc(/C=N\NC(=O)C(=O)Nc2ccccc2Cl)cc1.
What is the InChIKey of 2-[4-[(Z)-[[2-(2-chloroanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenoxy]acetate?
The InChIKey is MWCHVHSNNRRGEN-OCKHKDLRSA-M. The full InChI is InChI=1S/C17H14ClN3O5/c18-13-3-1-2-4-14(13)20-16(24)17(25)21-19-9-11-5-7-12(8-6-11)26-10-15(22)23/h1-9H,10H2,(H,20,24)(H,21,25)(H,22,23)/p-1/b19-9-.
What are the key properties of 2-[4-[(Z)-[[2-(2-chloroanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenoxy]acetate?
2-[4-[(Z)-[[2-(2-chloroanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenoxy]acetate has a molecular weight of 374.76 g/mol, XLogP of 0.56, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(Z)-[[2-(2-chloroanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenoxy]acetate is sourced from PubChem (CID 7016859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).