2-(3,4-dichloroanilino)-N-[(4-propan-2-ylphenyl)methylideneamino]acetamide

C18H19Cl2N3O — CID 5016763

IUPAC2-(3,4-dichloroanilino)-N-[(4-propan-2-ylphenyl)methylideneamino]acetamide
SMILESCC(C)c1ccc(C=NNC(=O)CNc2ccc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C18H19Cl2N3O/c1-12(2)14-5-3-13(4-6-14)10-22-23-18(24)11-21-15-7-8-16(19)17(20)9-15/h3-10,12,21H,11H2,1-2H3,(H,23,24)
InChIKeyNYSPJJLHIPKACZ-UHFFFAOYSA-N
MW364.28 g/mol
LogP4.68
Rot. Bonds6

About 2-(3,4-dichloroanilino)-N-[(4-propan-2-ylphenyl)methylideneamino]acetamide

2-(3,4-dichloroanilino)-N-[(4-propan-2-ylphenyl)methylideneamino]acetamide (PubChem CID 5016763) has the molecular formula C18H19Cl2N3O and a molecular weight of 364.28 g/mol. Its IUPAC name is 2-(3,4-dichloroanilino)-N-[(4-propan-2-ylphenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-(3,4-dichloroanilino)-N-[(4-propan-2-ylphenyl)methylideneamino]acetamide
PubChem CID5016763
Molecular FormulaC18H19Cl2N3O
Molecular Weight364.28 g/mol
Exact Mass363.09
IUPAC Name2-(3,4-dichloroanilino)-N-[(4-propan-2-ylphenyl)methylideneamino]acetamide
SMILESCC(C)c1ccc(C=NNC(=O)CNc2ccc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C18H19Cl2N3O/c1-12(2)14-5-3-13(4-6-14)10-22-23-18(24)11-21-15-7-8-16(19)17(20)9-15/h3-10,12,21H,11H2,1-2H3,(H,23,24)
InChIKeyNYSPJJLHIPKACZ-UHFFFAOYSA-N
XLogP4.68
TPSA53.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.28
LogP ≤ 54.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-anilino-N-[(Z)-(4-propan-2-ylphenyl)methylideneamino]acetamide
CID 7784431
2-(3,4-dichloroanilino)-N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]acetamide
CID 6034971
N-[(Z)-(4-propan-2-ylphenyl)methylideneamino]-2-[3-(trifluoromethyl)anilino]acetamide
CID 7929512
2-(4-chloroanilino)-N-[(4-chlorophenyl)methylideneamino]acetamide
CID 690289
N-[(3,4-dichlorophenyl)methylideneamino]-2-[3-(trifluoromethyl)anilino]acetamide
CID 2353624
N-[(4-chlorophenyl)methylideneamino]-2-(4-methylanilino)acetamide
CID 689465
N-(3,4-dichlorophenyl)-N'-[(4-methylphenyl)methylideneamino]propanediamide
CID 4571509
N-[(3,4-dichlorophenyl)methylideneamino]-2-(2-methylanilino)acetamide
CID 4111290
N-(3,4-dichlorophenyl)-N'-[(Z)-(4-hydroxyphenyl)methylideneamino]propanediamide
CID 136773637
2-(3-methylanilino)-N-[[2-methyl-3-(4-propan-2-ylphenyl)prop-2-enylidene]amino]acetamide
CID 3473753
N-[[2-methyl-3-(4-propan-2-ylphenyl)prop-2-enylidene]amino]-2-(naphthalen-2-ylamino)acetamide
CID 4545872
N-[(4-chlorophenyl)methylideneamino]-2-(4-iodoanilino)acetamide
CID 1376174

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichloroanilino)-N-[(4-propan-2-ylphenyl)methylideneamino]acetamide?
The IUPAC name of 2-(3,4-dichloroanilino)-N-[(4-propan-2-ylphenyl)methylideneamino]acetamide (CID 5016763) is 2-(3,4-dichloroanilino)-N-[(4-propan-2-ylphenyl)methylideneamino]acetamide.
What is the SMILES notation for 2-(3,4-dichloroanilino)-N-[(4-propan-2-ylphenyl)methylideneamino]acetamide?
The canonical SMILES for 2-(3,4-dichloroanilino)-N-[(4-propan-2-ylphenyl)methylideneamino]acetamide is CC(C)c1ccc(C=NNC(=O)CNc2ccc(Cl)c(Cl)c2)cc1.
What is the InChIKey of 2-(3,4-dichloroanilino)-N-[(4-propan-2-ylphenyl)methylideneamino]acetamide?
The InChIKey is NYSPJJLHIPKACZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19Cl2N3O/c1-12(2)14-5-3-13(4-6-14)10-22-23-18(24)11-21-15-7-8-16(19)17(20)9-15/h3-10,12,21H,11H2,1-2H3,(H,23,24).
What are the key properties of 2-(3,4-dichloroanilino)-N-[(4-propan-2-ylphenyl)methylideneamino]acetamide?
2-(3,4-dichloroanilino)-N-[(4-propan-2-ylphenyl)methylideneamino]acetamide has a molecular weight of 364.28 g/mol, XLogP of 4.68, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dichloroanilino)-N-[(4-propan-2-ylphenyl)methylideneamino]acetamide is sourced from PubChem (CID 5016763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).