2-(4-chloro-2-methylanilino)-N-[(4-ethoxyphenyl)methylideneamino]acetamide

C18H20ClN3O2 — CID 770382

IUPAC2-(4-chloro-2-methylanilino)-N-[(4-ethoxyphenyl)methylideneamino]acetamide
SMILESCCOc1ccc(C=NNC(=O)CNc2ccc(Cl)cc2C)cc1
InChIInChI=1S/C18H20ClN3O2/c1-3-24-16-7-4-14(5-8-16)11-21-22-18(23)12-20-17-9-6-15(19)10-13(17)2/h4-11,20H,3,12H2,1-2H3,(H,22,23)
InChIKeyPBFBFLIMYMQSNX-UHFFFAOYSA-N
MW345.83 g/mol
LogP3.61
Rot. Bonds7

About 2-(4-chloro-2-methylanilino)-N-[(4-ethoxyphenyl)methylideneamino]acetamide

2-(4-chloro-2-methylanilino)-N-[(4-ethoxyphenyl)methylideneamino]acetamide (PubChem CID 770382) has the molecular formula C18H20ClN3O2 and a molecular weight of 345.83 g/mol. Its IUPAC name is 2-(4-chloro-2-methylanilino)-N-[(4-ethoxyphenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-(4-chloro-2-methylanilino)-N-[(4-ethoxyphenyl)methylideneamino]acetamide
PubChem CID770382
Molecular FormulaC18H20ClN3O2
Molecular Weight345.83 g/mol
Exact Mass345.12
IUPAC Name2-(4-chloro-2-methylanilino)-N-[(4-ethoxyphenyl)methylideneamino]acetamide
SMILESCCOc1ccc(C=NNC(=O)CNc2ccc(Cl)cc2C)cc1
InChIInChI=1S/C18H20ClN3O2/c1-3-24-16-7-4-14(5-8-16)11-21-22-18(23)12-20-17-9-6-15(19)10-13(17)2/h4-11,20H,3,12H2,1-2H3,(H,22,23)
InChIKeyPBFBFLIMYMQSNX-UHFFFAOYSA-N
XLogP3.61
TPSA62.72 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 ≤ 53.61
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

2-(4-chloro-2-methylanilino)-N-[(E)-(4-hydroxyphenyl)methylideneamino]acetamide
CID 135719923
N-[(4-chlorophenyl)methylideneamino]-2-(2,4-dimethylanilino)acetamide
CID 968022
2-(4-chloro-2-methylanilino)-N-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]acetamide
CID 6110623
N-[(Z)-(4-chlorophenyl)methylideneamino]-2-(4-iodo-2-methylanilino)acetamide
CID 6157442
2-(2,4-dibromoanilino)-N-[(E)-(4-ethoxyphenyl)methylideneamino]acetamide
CID 46502238
2-(4-chloro-2-methylanilino)-N-[(Z)-(2-hydroxy-5-methoxyphenyl)methylideneamino]acetamide
CID 136662908
N-[(Z)-(4-ethoxyphenyl)methylideneamino]-2-(2-methoxyanilino)acetamide
CID 5401700
N-[(4-ethoxyphenyl)methylideneamino]-2-(2-methoxyanilino)acetamide
CID 759194
2-(4-chloro-3,5-dimethylphenoxy)-N-[(Z)-(4-ethoxyphenyl)methylideneamino]acetamide
CID 6308469
N-[(Z)-(4-ethoxyphenyl)methylideneamino]-2-(4-fluoroanilino)acetamide
CID 5416855
2-(4-chloro-2-methylanilino)-N-[(2,4-dihydroxyphenyl)methylideneamino]acetamide
CID 3564637
2-(2,4-dimethylanilino)-N-[(4-hydroxyphenyl)methylideneamino]acetamide
CID 967994

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-methylanilino)-N-[(4-ethoxyphenyl)methylideneamino]acetamide?
The IUPAC name of 2-(4-chloro-2-methylanilino)-N-[(4-ethoxyphenyl)methylideneamino]acetamide (CID 770382) is 2-(4-chloro-2-methylanilino)-N-[(4-ethoxyphenyl)methylideneamino]acetamide.
What is the SMILES notation for 2-(4-chloro-2-methylanilino)-N-[(4-ethoxyphenyl)methylideneamino]acetamide?
The canonical SMILES for 2-(4-chloro-2-methylanilino)-N-[(4-ethoxyphenyl)methylideneamino]acetamide is CCOc1ccc(C=NNC(=O)CNc2ccc(Cl)cc2C)cc1.
What is the InChIKey of 2-(4-chloro-2-methylanilino)-N-[(4-ethoxyphenyl)methylideneamino]acetamide?
The InChIKey is PBFBFLIMYMQSNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN3O2/c1-3-24-16-7-4-14(5-8-16)11-21-22-18(23)12-20-17-9-6-15(19)10-13(17)2/h4-11,20H,3,12H2,1-2H3,(H,22,23).
What are the key properties of 2-(4-chloro-2-methylanilino)-N-[(4-ethoxyphenyl)methylideneamino]acetamide?
2-(4-chloro-2-methylanilino)-N-[(4-ethoxyphenyl)methylideneamino]acetamide has a molecular weight of 345.83 g/mol, XLogP of 3.61, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-methylanilino)-N-[(4-ethoxyphenyl)methylideneamino]acetamide is sourced from PubChem (CID 770382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).