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

C17H18ClN3O — CID 968022

IUPACN-[(4-chlorophenyl)methylideneamino]-2-(2,4-dimethylanilino)acetamide
SMILESCc1ccc(NCC(=O)NN=Cc2ccc(Cl)cc2)c(C)c1
InChIInChI=1S/C17H18ClN3O/c1-12-3-8-16(13(2)9-12)19-11-17(22)21-20-10-14-4-6-15(18)7-5-14/h3-10,19H,11H2,1-2H3,(H,21,22)
InChIKeyBOKGKZDFGIZSHZ-UHFFFAOYSA-N
MW315.80 g/mol
LogP3.52
Rot. Bonds5

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

N-[(4-chlorophenyl)methylideneamino]-2-(2,4-dimethylanilino)acetamide (PubChem CID 968022) has the molecular formula C17H18ClN3O and a molecular weight of 315.80 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methylideneamino]-2-(2,4-dimethylanilino)acetamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methylideneamino]-2-(2,4-dimethylanilino)acetamide
PubChem CID968022
Molecular FormulaC17H18ClN3O
Molecular Weight315.80 g/mol
Exact Mass315.11
IUPAC NameN-[(4-chlorophenyl)methylideneamino]-2-(2,4-dimethylanilino)acetamide
SMILESCc1ccc(NCC(=O)NN=Cc2ccc(Cl)cc2)c(C)c1
InChIInChI=1S/C17H18ClN3O/c1-12-3-8-16(13(2)9-12)19-11-17(22)21-20-10-14-4-6-15(18)7-5-14/h3-10,19H,11H2,1-2H3,(H,21,22)
InChIKeyBOKGKZDFGIZSHZ-UHFFFAOYSA-N
XLogP3.52
TPSA53.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.80
LogP ≤ 53.52
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-(2,4-dimethylanilino)-N-[(4-hydroxyphenyl)methylideneamino]acetamide
CID 967994
N-[(Z)-(4-chlorophenyl)methylideneamino]-2-(4-iodo-2-methylanilino)acetamide
CID 6157442
N-[(4-bromophenyl)methylideneamino]-2-(2,4-dimethylanilino)acetamide
CID 4630248
N-(benzylideneamino)-2-(2,4-dimethylanilino)acetamide
CID 967979
2-(4-chloro-2-methylanilino)-N-[(E)-(4-hydroxyphenyl)methylideneamino]acetamide
CID 135719923
N-[(2,4-dichlorophenyl)methylideneamino]-2-(2,4-dimethylanilino)acetamide
CID 4630450
N-[(4-chlorophenyl)methylideneamino]-2-(4-methylanilino)acetamide
CID 689465
2-(2,4-dimethylanilino)-N-[(Z)-(2,4-dimethylphenyl)methylideneamino]acetamide
CID 5419156
2-(4-chloro-2-methylanilino)-N-[(4-ethoxyphenyl)methylideneamino]acetamide
CID 770382
N-[(Z)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-2-(2,4-dimethylanilino)acetamide
CID 136742656
2-(4-chloro-2-methylanilino)-N-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]acetamide
CID 6110623
2-(4-chloroanilino)-N-[(4-chlorophenyl)methylideneamino]acetamide
CID 690289

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methylideneamino]-2-(2,4-dimethylanilino)acetamide?
The IUPAC name of N-[(4-chlorophenyl)methylideneamino]-2-(2,4-dimethylanilino)acetamide (CID 968022) is N-[(4-chlorophenyl)methylideneamino]-2-(2,4-dimethylanilino)acetamide.
What is the SMILES notation for N-[(4-chlorophenyl)methylideneamino]-2-(2,4-dimethylanilino)acetamide?
The canonical SMILES for N-[(4-chlorophenyl)methylideneamino]-2-(2,4-dimethylanilino)acetamide is Cc1ccc(NCC(=O)NN=Cc2ccc(Cl)cc2)c(C)c1.
What is the InChIKey of N-[(4-chlorophenyl)methylideneamino]-2-(2,4-dimethylanilino)acetamide?
The InChIKey is BOKGKZDFGIZSHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN3O/c1-12-3-8-16(13(2)9-12)19-11-17(22)21-20-10-14-4-6-15(18)7-5-14/h3-10,19H,11H2,1-2H3,(H,21,22).
What are the key properties of N-[(4-chlorophenyl)methylideneamino]-2-(2,4-dimethylanilino)acetamide?
N-[(4-chlorophenyl)methylideneamino]-2-(2,4-dimethylanilino)acetamide has a molecular weight of 315.80 g/mol, XLogP of 3.52, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methylideneamino]-2-(2,4-dimethylanilino)acetamide is sourced from PubChem (CID 968022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).