2-(4-aminophenyl)-N-[(Z)-(3-chloro-4-propoxyphenyl)methylideneamino]acetamide

C18H20ClN3O2 — CID 110515156

IUPAC2-(4-aminophenyl)-N-[(Z)-(3-chloro-4-propoxyphenyl)methylideneamino]acetamide
SMILESCCCOc1ccc(/C=N\NC(=O)Cc2ccc(N)cc2)cc1Cl
InChIInChI=1S/C18H20ClN3O2/c1-2-9-24-17-8-5-14(10-16(17)19)12-21-22-18(23)11-13-3-6-15(20)7-4-13/h3-8,10,12H,2,9,11,20H2,1H3,(H,22,23)/b21-12-
InChIKeyQXCUOQXCAUKWSX-MTJSOVHGSA-N
MW345.83 g/mol
LogP3.40
Rot. Bonds7

About 2-(4-aminophenyl)-N-[(Z)-(3-chloro-4-propoxyphenyl)methylideneamino]acetamide

2-(4-aminophenyl)-N-[(Z)-(3-chloro-4-propoxyphenyl)methylideneamino]acetamide (PubChem CID 110515156) has the molecular formula C18H20ClN3O2 and a molecular weight of 345.83 g/mol. Its IUPAC name is 2-(4-aminophenyl)-N-[(Z)-(3-chloro-4-propoxyphenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-(4-aminophenyl)-N-[(Z)-(3-chloro-4-propoxyphenyl)methylideneamino]acetamide
PubChem CID110515156
Molecular FormulaC18H20ClN3O2
Molecular Weight345.83 g/mol
Exact Mass345.12
IUPAC Name2-(4-aminophenyl)-N-[(Z)-(3-chloro-4-propoxyphenyl)methylideneamino]acetamide
SMILESCCCOc1ccc(/C=N\NC(=O)Cc2ccc(N)cc2)cc1Cl
InChIInChI=1S/C18H20ClN3O2/c1-2-9-24-17-8-5-14(10-16(17)19)12-21-22-18(23)11-13-3-6-15(20)7-4-13/h3-8,10,12H,2,9,11,20H2,1H3,(H,22,23)/b21-12-
InChIKeyQXCUOQXCAUKWSX-MTJSOVHGSA-N
XLogP3.40
TPSA76.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.83
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', '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

[(Z)-(3-chloro-4-propoxyphenyl)methylideneamino]urea
CID 110540127
N-[(Z)-(3-chloro-4-nonoxyphenyl)methylideneamino]-2-(4-methoxyphenyl)acetamide
CID 110515391
N-[(Z)-(3-chloro-4-propoxyphenyl)methylideneamino]-2-(2,4-dimethylphenyl)acetamide
CID 92658024
2-(4-aminophenyl)-N-[(Z)-(3-bromo-4-ethoxyphenyl)methylideneamino]acetamide
CID 110515152
2-(4-hydroxyphenyl)-N-[(Z)-(4-methoxy-3-propoxyphenyl)methylideneamino]acetamide
CID 110515651
N-[(E)-(3-chloro-4-ethoxyphenyl)methylideneamino]pentanamide
CID 110506895
N'-[(Z)-(3-chloro-4-propoxyphenyl)methylideneamino]-N-prop-2-enyloxamide
CID 8988943
2-(4-bromophenyl)-N-[(E)-(3-chloro-5-methoxy-4-propoxyphenyl)methylideneamino]acetamide
CID 19061551
4-amino-N-[(E)-(3-methoxy-4-propoxyphenyl)methylideneamino]benzamide
CID 6909799
4-amino-N-[(Z)-(3-ethoxy-4-propoxyphenyl)methylideneamino]benzamide
CID 9071275
N-[(Z)-(3-chloro-5-ethoxy-4-propoxyphenyl)methylideneamino]-2-phenylacetamide
CID 110515314
3-amino-N-[(Z)-(3-chloro-4-nonoxyphenyl)methylideneamino]benzamide
CID 110512173

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenyl)-N-[(Z)-(3-chloro-4-propoxyphenyl)methylideneamino]acetamide?
The IUPAC name of 2-(4-aminophenyl)-N-[(Z)-(3-chloro-4-propoxyphenyl)methylideneamino]acetamide (CID 110515156) is 2-(4-aminophenyl)-N-[(Z)-(3-chloro-4-propoxyphenyl)methylideneamino]acetamide.
What is the SMILES notation for 2-(4-aminophenyl)-N-[(Z)-(3-chloro-4-propoxyphenyl)methylideneamino]acetamide?
The canonical SMILES for 2-(4-aminophenyl)-N-[(Z)-(3-chloro-4-propoxyphenyl)methylideneamino]acetamide is CCCOc1ccc(/C=N\NC(=O)Cc2ccc(N)cc2)cc1Cl.
What is the InChIKey of 2-(4-aminophenyl)-N-[(Z)-(3-chloro-4-propoxyphenyl)methylideneamino]acetamide?
The InChIKey is QXCUOQXCAUKWSX-MTJSOVHGSA-N. The full InChI is InChI=1S/C18H20ClN3O2/c1-2-9-24-17-8-5-14(10-16(17)19)12-21-22-18(23)11-13-3-6-15(20)7-4-13/h3-8,10,12H,2,9,11,20H2,1H3,(H,22,23)/b21-12-.
What are the key properties of 2-(4-aminophenyl)-N-[(Z)-(3-chloro-4-propoxyphenyl)methylideneamino]acetamide?
2-(4-aminophenyl)-N-[(Z)-(3-chloro-4-propoxyphenyl)methylideneamino]acetamide has a molecular weight of 345.83 g/mol, XLogP of 3.40, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminophenyl)-N-[(Z)-(3-chloro-4-propoxyphenyl)methylideneamino]acetamide is sourced from PubChem (CID 110515156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).