2-(3-chloro-2-methylanilino)-N-[(3,4-dimethoxyphenyl)methylideneamino]acetamide

C18H20ClN3O3 — CID 4629127

IUPAC2-(3-chloro-2-methylanilino)-N-[(3,4-dimethoxyphenyl)methylideneamino]acetamide
SMILESCOc1ccc(C=NNC(=O)CNc2cccc(Cl)c2C)cc1OC
InChIInChI=1S/C18H20ClN3O3/c1-12-14(19)5-4-6-15(12)20-11-18(23)22-21-10-13-7-8-16(24-2)17(9-13)25-3/h4-10,20H,11H2,1-3H3,(H,22,23)
InChIKeyCQBDRTNXABGDDS-UHFFFAOYSA-N
MW361.83 g/mol
LogP3.23
Rot. Bonds7

About 2-(3-chloro-2-methylanilino)-N-[(3,4-dimethoxyphenyl)methylideneamino]acetamide

2-(3-chloro-2-methylanilino)-N-[(3,4-dimethoxyphenyl)methylideneamino]acetamide (PubChem CID 4629127) has the molecular formula C18H20ClN3O3 and a molecular weight of 361.83 g/mol. Its IUPAC name is 2-(3-chloro-2-methylanilino)-N-[(3,4-dimethoxyphenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-(3-chloro-2-methylanilino)-N-[(3,4-dimethoxyphenyl)methylideneamino]acetamide
PubChem CID4629127
Molecular FormulaC18H20ClN3O3
Molecular Weight361.83 g/mol
Exact Mass361.12
IUPAC Name2-(3-chloro-2-methylanilino)-N-[(3,4-dimethoxyphenyl)methylideneamino]acetamide
SMILESCOc1ccc(C=NNC(=O)CNc2cccc(Cl)c2C)cc1OC
InChIInChI=1S/C18H20ClN3O3/c1-12-14(19)5-4-6-15(12)20-11-18(23)22-21-10-13-7-8-16(24-2)17(9-13)25-3/h4-10,20H,11H2,1-3H3,(H,22,23)
InChIKeyCQBDRTNXABGDDS-UHFFFAOYSA-N
XLogP3.23
TPSA71.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.83
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

[4-[[[2-(3-chloro-2-methylanilino)acetyl]hydrazinylidene]methyl]-2-methoxyphenyl] acetate
CID 4629550
N-(benzylideneamino)-2-(3-chloro-2-methylanilino)acetamide
CID 968237
2-(4-chloro-2-methylanilino)-N-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]acetamide
CID 6110623
2-(3-chloro-2-methylanilino)-N-(2-methoxy-5-methylphenyl)acetamide
CID 9099219
2-chloro-N-[3-[(E)-[[2-(2-methoxyanilino)acetyl]hydrazinylidene]methyl]phenyl]benzamide
CID 42991489
N-[(3-chloro-4-methoxyphenyl)methylideneamino]-2-(3-methylanilino)acetamide
CID 758746
N-[(3-ethoxy-4-methoxyphenyl)methylideneamino]-2-(naphthalen-1-ylamino)acetamide
CID 3874837
[4-[(Z)-[(3-chloro-2-methylphenyl)carbamothioylhydrazinylidene]methyl]-2-methoxyphenyl] acetate
CID 9316261
N,N'-bis[(3,4-dimethoxyphenyl)methylideneamino]propanediamide
CID 5144233
N-[(Z)-(3-fluoro-4-methoxyphenyl)methylideneamino]-2-(2-methoxyanilino)acetamide
CID 8974942
N-(2-chlorophenyl)-N'-[(3,4-dimethoxyphenyl)methylideneamino]oxamide
CID 4992748
2-(2-chloroanilino)-N-[(3-hydroxyphenyl)methylideneamino]acetamide
CID 695102

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-2-methylanilino)-N-[(3,4-dimethoxyphenyl)methylideneamino]acetamide?
The IUPAC name of 2-(3-chloro-2-methylanilino)-N-[(3,4-dimethoxyphenyl)methylideneamino]acetamide (CID 4629127) is 2-(3-chloro-2-methylanilino)-N-[(3,4-dimethoxyphenyl)methylideneamino]acetamide.
What is the SMILES notation for 2-(3-chloro-2-methylanilino)-N-[(3,4-dimethoxyphenyl)methylideneamino]acetamide?
The canonical SMILES for 2-(3-chloro-2-methylanilino)-N-[(3,4-dimethoxyphenyl)methylideneamino]acetamide is COc1ccc(C=NNC(=O)CNc2cccc(Cl)c2C)cc1OC.
What is the InChIKey of 2-(3-chloro-2-methylanilino)-N-[(3,4-dimethoxyphenyl)methylideneamino]acetamide?
The InChIKey is CQBDRTNXABGDDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN3O3/c1-12-14(19)5-4-6-15(12)20-11-18(23)22-21-10-13-7-8-16(24-2)17(9-13)25-3/h4-10,20H,11H2,1-3H3,(H,22,23).
What are the key properties of 2-(3-chloro-2-methylanilino)-N-[(3,4-dimethoxyphenyl)methylideneamino]acetamide?
2-(3-chloro-2-methylanilino)-N-[(3,4-dimethoxyphenyl)methylideneamino]acetamide has a molecular weight of 361.83 g/mol, XLogP of 3.23, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-2-methylanilino)-N-[(3,4-dimethoxyphenyl)methylideneamino]acetamide is sourced from PubChem (CID 4629127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).