2-anilino-N-[(Z)-(5-chloro-2-ethoxyphenyl)methylideneamino]acetamide

C17H18ClN3O2 — CID 126382035

IUPAC2-anilino-N-[(Z)-(5-chloro-2-ethoxyphenyl)methylideneamino]acetamide
SMILESCCOc1ccc(Cl)cc1/C=N\NC(=O)CNc1ccccc1
InChIInChI=1S/C17H18ClN3O2/c1-2-23-16-9-8-14(18)10-13(16)11-20-21-17(22)12-19-15-6-4-3-5-7-15/h3-11,19H,2,12H2,1H3,(H,21,22)/b20-11-
InChIKeyIFQWSVJEDPNGDJ-JAIQZWGSSA-N
MW331.80 g/mol
LogP3.30
Rot. Bonds7

About 2-anilino-N-[(Z)-(5-chloro-2-ethoxyphenyl)methylideneamino]acetamide

2-anilino-N-[(Z)-(5-chloro-2-ethoxyphenyl)methylideneamino]acetamide (PubChem CID 126382035) has the molecular formula C17H18ClN3O2 and a molecular weight of 331.80 g/mol. Its IUPAC name is 2-anilino-N-[(Z)-(5-chloro-2-ethoxyphenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-anilino-N-[(Z)-(5-chloro-2-ethoxyphenyl)methylideneamino]acetamide
PubChem CID126382035
Molecular FormulaC17H18ClN3O2
Molecular Weight331.80 g/mol
Exact Mass331.11
IUPAC Name2-anilino-N-[(Z)-(5-chloro-2-ethoxyphenyl)methylideneamino]acetamide
SMILESCCOc1ccc(Cl)cc1/C=N\NC(=O)CNc1ccccc1
InChIInChI=1S/C17H18ClN3O2/c1-2-23-16-9-8-14(18)10-13(16)11-20-21-17(22)12-19-15-6-4-3-5-7-15/h3-11,19H,2,12H2,1H3,(H,21,22)/b20-11-
InChIKeyIFQWSVJEDPNGDJ-JAIQZWGSSA-N
XLogP3.30
TPSA62.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.80
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[(Z)-(5-chloro-2-ethoxyphenyl)methylideneamino]urea
CID 5426098
N-(2-bromophenyl)-N'-[(5-chloro-2-ethoxyphenyl)methylideneamino]propanediamide
CID 5206376
N-[(Z)-(5-chloro-2-ethoxyphenyl)methylideneamino]-2-hydroxybenzamide
CID 126055864
N-[(1S)-3-[(2Z)-2-[(5-chloro-2-ethoxyphenyl)methylidene]hydrazinyl]-3-oxo-1-phenylpropyl]benzamide
CID 126011325
N-[(Z)-(5-chloro-2-ethoxyphenyl)methylideneamino]-2-(2-methyl-1,3-dithiolan-2-yl)acetamide
CID 6219987
N'-[(Z)-(5-chloro-2-ethoxyphenyl)methylideneamino]-N-[(1S)-1-phenylethyl]oxamide
CID 8931357
2-anilino-N-[(5-bromo-2-methoxyphenyl)methylideneamino]acetamide
CID 2824721
2-anilino-N-[(Z)-[3-bromo-4-[(4-chlorophenyl)methoxy]-5-ethoxyphenyl]methylideneamino]acetamide
CID 126386466
N-[(5-bromo-2-methoxyphenyl)methylideneamino]-2-(4-chloroanilino)acetamide
CID 4573568
N'-[(5-chloro-2-methoxyphenyl)methylideneamino]-N-phenylbutanediamide
CID 5003294
2-(4-ethoxyanilino)-N-[(Z)-(2-phenylmethoxyphenyl)methylideneamino]acetamide
CID 6118655
N-[(E)-(5-chloro-2-ethoxyphenyl)methylideneamino]-4-ethoxybenzamide
CID 17246115

Frequently Asked Questions

What is the IUPAC name of 2-anilino-N-[(Z)-(5-chloro-2-ethoxyphenyl)methylideneamino]acetamide?
The IUPAC name of 2-anilino-N-[(Z)-(5-chloro-2-ethoxyphenyl)methylideneamino]acetamide (CID 126382035) is 2-anilino-N-[(Z)-(5-chloro-2-ethoxyphenyl)methylideneamino]acetamide.
What is the SMILES notation for 2-anilino-N-[(Z)-(5-chloro-2-ethoxyphenyl)methylideneamino]acetamide?
The canonical SMILES for 2-anilino-N-[(Z)-(5-chloro-2-ethoxyphenyl)methylideneamino]acetamide is CCOc1ccc(Cl)cc1/C=N\NC(=O)CNc1ccccc1.
What is the InChIKey of 2-anilino-N-[(Z)-(5-chloro-2-ethoxyphenyl)methylideneamino]acetamide?
The InChIKey is IFQWSVJEDPNGDJ-JAIQZWGSSA-N. The full InChI is InChI=1S/C17H18ClN3O2/c1-2-23-16-9-8-14(18)10-13(16)11-20-21-17(22)12-19-15-6-4-3-5-7-15/h3-11,19H,2,12H2,1H3,(H,21,22)/b20-11-.
What are the key properties of 2-anilino-N-[(Z)-(5-chloro-2-ethoxyphenyl)methylideneamino]acetamide?
2-anilino-N-[(Z)-(5-chloro-2-ethoxyphenyl)methylideneamino]acetamide has a molecular weight of 331.80 g/mol, XLogP of 3.30, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-N-[(Z)-(5-chloro-2-ethoxyphenyl)methylideneamino]acetamide is sourced from PubChem (CID 126382035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).