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

C16H15Cl2N3O — CID 4111290

IUPACN-[(3,4-dichlorophenyl)methylideneamino]-2-(2-methylanilino)acetamide
SMILESCc1ccccc1NCC(=O)NN=Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C16H15Cl2N3O/c1-11-4-2-3-5-15(11)19-10-16(22)21-20-9-12-6-7-13(17)14(18)8-12/h2-9,19H,10H2,1H3,(H,21,22)
InChIKeyCJIKUCIPVGTTEG-UHFFFAOYSA-N
MW336.22 g/mol
LogP3.86
Rot. Bonds5

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

N-[(3,4-dichlorophenyl)methylideneamino]-2-(2-methylanilino)acetamide (PubChem CID 4111290) has the molecular formula C16H15Cl2N3O and a molecular weight of 336.22 g/mol. Its IUPAC name is N-[(3,4-dichlorophenyl)methylideneamino]-2-(2-methylanilino)acetamide.

Molecular Properties

Compound NameN-[(3,4-dichlorophenyl)methylideneamino]-2-(2-methylanilino)acetamide
PubChem CID4111290
Molecular FormulaC16H15Cl2N3O
Molecular Weight336.22 g/mol
Exact Mass335.06
IUPAC NameN-[(3,4-dichlorophenyl)methylideneamino]-2-(2-methylanilino)acetamide
SMILESCc1ccccc1NCC(=O)NN=Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C16H15Cl2N3O/c1-11-4-2-3-5-15(11)19-10-16(22)21-20-9-12-6-7-13(17)14(18)8-12/h2-9,19H,10H2,1H3,(H,21,22)
InChIKeyCJIKUCIPVGTTEG-UHFFFAOYSA-N
XLogP3.86
TPSA53.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.22
LogP ≤ 53.86
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

1-[(3,4-dichlorophenyl)methylideneamino]-3-(2-methylphenyl)urea
CID 926819
N-[(E)-(4-hydroxy-3,5-diiodophenyl)methylideneamino]-2-(2-methylanilino)acetamide
CID 135939477
2-(2-methylanilino)-N-[(2-methylphenyl)methylideneamino]acetamide
CID 870845
2-(2-methylanilino)-N-[(E)-pyridin-2-ylmethylideneamino]acetamide
CID 6872977
N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]-2-(2-methylanilino)acetamide
CID 5414254
2-(2-chloroanilino)-N-[(2-methylphenyl)methylideneamino]acetamide
CID 968113
N-[(Z)-benzylideneamino]-2-(2-chloroanilino)acetamide
CID 5427716
N-(benzylideneamino)-2-(3-chloro-2-methylanilino)acetamide
CID 968237
2-(2-chloroanilino)-N-[(Z)-(3-chlorophenyl)methylideneamino]acetamide
CID 5427729
N-[(E)-[5-(2,5-dichlorophenyl)furan-2-yl]methylideneamino]-2-(2-methylanilino)acetamide
CID 6322085
N,N'-bis[(3,4-dichlorophenyl)methylideneamino]hexanediamide
CID 4104627
2-(2-chloroanilino)-N-[(3-hydroxyphenyl)methylideneamino]acetamide
CID 695102

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dichlorophenyl)methylideneamino]-2-(2-methylanilino)acetamide?
The IUPAC name of N-[(3,4-dichlorophenyl)methylideneamino]-2-(2-methylanilino)acetamide (CID 4111290) is N-[(3,4-dichlorophenyl)methylideneamino]-2-(2-methylanilino)acetamide.
What is the SMILES notation for N-[(3,4-dichlorophenyl)methylideneamino]-2-(2-methylanilino)acetamide?
The canonical SMILES for N-[(3,4-dichlorophenyl)methylideneamino]-2-(2-methylanilino)acetamide is Cc1ccccc1NCC(=O)NN=Cc1ccc(Cl)c(Cl)c1.
What is the InChIKey of N-[(3,4-dichlorophenyl)methylideneamino]-2-(2-methylanilino)acetamide?
The InChIKey is CJIKUCIPVGTTEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl2N3O/c1-11-4-2-3-5-15(11)19-10-16(22)21-20-9-12-6-7-13(17)14(18)8-12/h2-9,19H,10H2,1H3,(H,21,22).
What are the key properties of N-[(3,4-dichlorophenyl)methylideneamino]-2-(2-methylanilino)acetamide?
N-[(3,4-dichlorophenyl)methylideneamino]-2-(2-methylanilino)acetamide has a molecular weight of 336.22 g/mol, XLogP of 3.86, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dichlorophenyl)methylideneamino]-2-(2-methylanilino)acetamide is sourced from PubChem (CID 4111290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).