N-[(4-chlorophenyl)methylideneamino]-2-(4-methylanilino)acetamide

C16H16ClN3O — CID 689465

IUPACN-[(4-chlorophenyl)methylideneamino]-2-(4-methylanilino)acetamide
SMILESCc1ccc(NCC(=O)NN=Cc2ccc(Cl)cc2)cc1
InChIInChI=1S/C16H16ClN3O/c1-12-2-8-15(9-3-12)18-11-16(21)20-19-10-13-4-6-14(17)7-5-13/h2-10,18H,11H2,1H3,(H,20,21)
InChIKeyZMNNHMOUNVHZGQ-UHFFFAOYSA-N
MW301.78 g/mol
LogP3.21
Rot. Bonds5

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

N-[(4-chlorophenyl)methylideneamino]-2-(4-methylanilino)acetamide (PubChem CID 689465) has the molecular formula C16H16ClN3O and a molecular weight of 301.78 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methylideneamino]-2-(4-methylanilino)acetamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methylideneamino]-2-(4-methylanilino)acetamide
PubChem CID689465
Molecular FormulaC16H16ClN3O
Molecular Weight301.78 g/mol
Exact Mass301.10
IUPAC NameN-[(4-chlorophenyl)methylideneamino]-2-(4-methylanilino)acetamide
SMILESCc1ccc(NCC(=O)NN=Cc2ccc(Cl)cc2)cc1
InChIInChI=1S/C16H16ClN3O/c1-12-2-8-15(9-3-12)18-11-16(21)20-19-10-13-4-6-14(17)7-5-13/h2-10,18H,11H2,1H3,(H,20,21)
InChIKeyZMNNHMOUNVHZGQ-UHFFFAOYSA-N
XLogP3.21
TPSA53.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.78
LogP ≤ 53.21
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-(4-chloroanilino)-N-[(4-chlorophenyl)methylideneamino]acetamide
CID 690289
2-(4-chloroanilino)-N-[(Z)-[4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]acetamide
CID 126368921
N-[(4-chlorophenyl)methylideneamino]-2-(4-iodoanilino)acetamide
CID 1376174
N-(benzylideneamino)-2-(4-methylanilino)acetamide
CID 689462
N-[(4-chlorophenyl)methylideneamino]-2-(2,4-dimethylanilino)acetamide
CID 968022
N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-2-(4-methylanilino)acetamide;hydrochloride
CID 163329045
methyl 4-[(Z)-[[2-(4-methylanilino)acetyl]hydrazinylidene]methyl]benzoate
CID 5401590
2-(4-chloroanilino)-N-[(Z)-(4-nitrophenyl)methylideneamino]acetamide
CID 5392445
[4-[[[2-(4-methylanilino)acetyl]hydrazinylidene]methyl]phenyl] benzoate
CID 1202103
N-[(2,3-dichlorophenyl)methylideneamino]-2-(4-methylanilino)acetamide
CID 872216
2-(4-chloroanilino)-N-[(Z)-[5-(4-chlorophenyl)furan-2-yl]methylideneamino]acetamide
CID 126371391
N-[(Z)-(4-chlorophenyl)methylideneamino]-2-(4-iodo-2-methylanilino)acetamide
CID 6157442

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methylideneamino]-2-(4-methylanilino)acetamide?
The IUPAC name of N-[(4-chlorophenyl)methylideneamino]-2-(4-methylanilino)acetamide (CID 689465) is N-[(4-chlorophenyl)methylideneamino]-2-(4-methylanilino)acetamide.
What is the SMILES notation for N-[(4-chlorophenyl)methylideneamino]-2-(4-methylanilino)acetamide?
The canonical SMILES for N-[(4-chlorophenyl)methylideneamino]-2-(4-methylanilino)acetamide is Cc1ccc(NCC(=O)NN=Cc2ccc(Cl)cc2)cc1.
What is the InChIKey of N-[(4-chlorophenyl)methylideneamino]-2-(4-methylanilino)acetamide?
The InChIKey is ZMNNHMOUNVHZGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN3O/c1-12-2-8-15(9-3-12)18-11-16(21)20-19-10-13-4-6-14(17)7-5-13/h2-10,18H,11H2,1H3,(H,20,21).
What are the key properties of N-[(4-chlorophenyl)methylideneamino]-2-(4-methylanilino)acetamide?
N-[(4-chlorophenyl)methylideneamino]-2-(4-methylanilino)acetamide has a molecular weight of 301.78 g/mol, XLogP of 3.21, 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-(4-methylanilino)acetamide is sourced from PubChem (CID 689465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).