N-[(2,4-dichlorophenyl)methylideneamino]-2-(2,4-dimethylanilino)acetamide

C17H17Cl2N3O — CID 4630450

IUPACN-[(2,4-dichlorophenyl)methylideneamino]-2-(2,4-dimethylanilino)acetamide
SMILESCc1ccc(NCC(=O)NN=Cc2ccc(Cl)cc2Cl)c(C)c1
InChIInChI=1S/C17H17Cl2N3O/c1-11-3-6-16(12(2)7-11)20-10-17(23)22-21-9-13-4-5-14(18)8-15(13)19/h3-9,20H,10H2,1-2H3,(H,22,23)
InChIKeyYKJGCNGCOJZWLV-UHFFFAOYSA-N
MW350.25 g/mol
LogP4.17
Rot. Bonds5

About N-[(2,4-dichlorophenyl)methylideneamino]-2-(2,4-dimethylanilino)acetamide

N-[(2,4-dichlorophenyl)methylideneamino]-2-(2,4-dimethylanilino)acetamide (PubChem CID 4630450) has the molecular formula C17H17Cl2N3O and a molecular weight of 350.25 g/mol. Its IUPAC name is N-[(2,4-dichlorophenyl)methylideneamino]-2-(2,4-dimethylanilino)acetamide.

Molecular Properties

Compound NameN-[(2,4-dichlorophenyl)methylideneamino]-2-(2,4-dimethylanilino)acetamide
PubChem CID4630450
Molecular FormulaC17H17Cl2N3O
Molecular Weight350.25 g/mol
Exact Mass349.07
IUPAC NameN-[(2,4-dichlorophenyl)methylideneamino]-2-(2,4-dimethylanilino)acetamide
SMILESCc1ccc(NCC(=O)NN=Cc2ccc(Cl)cc2Cl)c(C)c1
InChIInChI=1S/C17H17Cl2N3O/c1-11-3-6-16(12(2)7-11)20-10-17(23)22-21-9-13-4-5-14(18)8-15(13)19/h3-9,20H,10H2,1-2H3,(H,22,23)
InChIKeyYKJGCNGCOJZWLV-UHFFFAOYSA-N
XLogP4.17
TPSA53.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.25
LogP ≤ 54.17
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

N-[(Z)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-2-(2,4-dimethylanilino)acetamide
CID 136742656
N'-[(2,4-dichlorophenyl)methylideneamino]-N-(2,4-dimethylphenyl)propanediamide
CID 3337673
2-(2,4-dimethylanilino)-N-[(Z)-(2,4-dimethylphenyl)methylideneamino]acetamide
CID 5419156
N-[(4-chlorophenyl)methylideneamino]-2-(2,4-dimethylanilino)acetamide
CID 968022
2-(4-chloro-2-methylanilino)-N-[(2,4-dihydroxyphenyl)methylideneamino]acetamide
CID 3564637
N-(benzylideneamino)-2-(2,4-dimethylanilino)acetamide
CID 967979
2-(4-chloro-2-methylanilino)-N-[(E)-(4-hydroxyphenyl)methylideneamino]acetamide
CID 135719923
N-[(2-chlorophenyl)methylideneamino]-2-(4-iodo-2-methylanilino)acetamide
CID 3930729
N-[2-[2-[(2,4-dichlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]-3-methylbenzamide
CID 4188604
2-(2,4-dimethylanilino)-N-[(4-hydroxyphenyl)methylideneamino]acetamide
CID 967994
N-[(4-bromophenyl)methylideneamino]-2-(2,4-dimethylanilino)acetamide
CID 4630248
N'-[(2,4-dichlorophenyl)methylideneamino]-N-(2,5-dimethylphenyl)oxamide
CID 3426233

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dichlorophenyl)methylideneamino]-2-(2,4-dimethylanilino)acetamide?
The IUPAC name of N-[(2,4-dichlorophenyl)methylideneamino]-2-(2,4-dimethylanilino)acetamide (CID 4630450) is N-[(2,4-dichlorophenyl)methylideneamino]-2-(2,4-dimethylanilino)acetamide.
What is the SMILES notation for N-[(2,4-dichlorophenyl)methylideneamino]-2-(2,4-dimethylanilino)acetamide?
The canonical SMILES for N-[(2,4-dichlorophenyl)methylideneamino]-2-(2,4-dimethylanilino)acetamide is Cc1ccc(NCC(=O)NN=Cc2ccc(Cl)cc2Cl)c(C)c1.
What is the InChIKey of N-[(2,4-dichlorophenyl)methylideneamino]-2-(2,4-dimethylanilino)acetamide?
The InChIKey is YKJGCNGCOJZWLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17Cl2N3O/c1-11-3-6-16(12(2)7-11)20-10-17(23)22-21-9-13-4-5-14(18)8-15(13)19/h3-9,20H,10H2,1-2H3,(H,22,23).
What are the key properties of N-[(2,4-dichlorophenyl)methylideneamino]-2-(2,4-dimethylanilino)acetamide?
N-[(2,4-dichlorophenyl)methylideneamino]-2-(2,4-dimethylanilino)acetamide has a molecular weight of 350.25 g/mol, XLogP of 4.17, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dichlorophenyl)methylideneamino]-2-(2,4-dimethylanilino)acetamide is sourced from PubChem (CID 4630450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).