N-(benzylideneamino)-2-(3-chloro-2-methylanilino)acetamide

C16H16ClN3O — CID 968237

IUPACN-(benzylideneamino)-2-(3-chloro-2-methylanilino)acetamide
SMILESCc1c(Cl)cccc1NCC(=O)NN=Cc1ccccc1
InChIInChI=1S/C16H16ClN3O/c1-12-14(17)8-5-9-15(12)18-11-16(21)20-19-10-13-6-3-2-4-7-13/h2-10,18H,11H2,1H3,(H,20,21)
InChIKeyNVKOFNWLKICWCM-UHFFFAOYSA-N
MW301.78 g/mol
LogP3.21
Rot. Bonds5

About N-(benzylideneamino)-2-(3-chloro-2-methylanilino)acetamide

N-(benzylideneamino)-2-(3-chloro-2-methylanilino)acetamide (PubChem CID 968237) has the molecular formula C16H16ClN3O and a molecular weight of 301.78 g/mol. Its IUPAC name is N-(benzylideneamino)-2-(3-chloro-2-methylanilino)acetamide.

Molecular Properties

Compound NameN-(benzylideneamino)-2-(3-chloro-2-methylanilino)acetamide
PubChem CID968237
Molecular FormulaC16H16ClN3O
Molecular Weight301.78 g/mol
Exact Mass301.10
IUPAC NameN-(benzylideneamino)-2-(3-chloro-2-methylanilino)acetamide
SMILESCc1c(Cl)cccc1NCC(=O)NN=Cc1ccccc1
InChIInChI=1S/C16H16ClN3O/c1-12-14(17)8-5-9-15(12)18-11-16(21)20-19-10-13-6-3-2-4-7-13/h2-10,18H,11H2,1H3,(H,20,21)
InChIKeyNVKOFNWLKICWCM-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

N-[(Z)-benzylideneamino]-2-(2-chloroanilino)acetamide
CID 5427716
2-(3-chloro-2-methylanilino)-N-[(3,4-dimethoxyphenyl)methylideneamino]acetamide
CID 4629127
2-(2-chloroanilino)-N-[(Z)-(3-chlorophenyl)methylideneamino]acetamide
CID 5427729
2-(2-chloroanilino)-N-[(3-hydroxyphenyl)methylideneamino]acetamide
CID 695102
[4-[[[2-(3-chloro-2-methylanilino)acetyl]hydrazinylidene]methyl]-2-methoxyphenyl] acetate
CID 4629550
2-(3-chloro-2-methylanilino)-N-[(E)-1-phenylethylideneamino]acetamide
CID 5427982
N-(benzylideneamino)-2-(4-methylanilino)acetamide
CID 689462
2-(2-chloroanilino)-N-[(2-methylphenyl)methylideneamino]acetamide
CID 968113
N-(benzylideneamino)-2-(2,4-dimethylanilino)acetamide
CID 967979
N-[(3,4-dichlorophenyl)methylideneamino]-2-(2-methylanilino)acetamide
CID 4111290
2-(2-chloroanilino)-N-[(4-cyanophenyl)methylideneamino]acetamide
CID 967968
2-(3-chloro-2-methylanilino)-N-(2-fluorophenyl)acetamide
CID 9099260

Frequently Asked Questions

What is the IUPAC name of N-(benzylideneamino)-2-(3-chloro-2-methylanilino)acetamide?
The IUPAC name of N-(benzylideneamino)-2-(3-chloro-2-methylanilino)acetamide (CID 968237) is N-(benzylideneamino)-2-(3-chloro-2-methylanilino)acetamide.
What is the SMILES notation for N-(benzylideneamino)-2-(3-chloro-2-methylanilino)acetamide?
The canonical SMILES for N-(benzylideneamino)-2-(3-chloro-2-methylanilino)acetamide is Cc1c(Cl)cccc1NCC(=O)NN=Cc1ccccc1.
What is the InChIKey of N-(benzylideneamino)-2-(3-chloro-2-methylanilino)acetamide?
The InChIKey is NVKOFNWLKICWCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN3O/c1-12-14(17)8-5-9-15(12)18-11-16(21)20-19-10-13-6-3-2-4-7-13/h2-10,18H,11H2,1H3,(H,20,21).
What are the key properties of N-(benzylideneamino)-2-(3-chloro-2-methylanilino)acetamide?
N-(benzylideneamino)-2-(3-chloro-2-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-(benzylideneamino)-2-(3-chloro-2-methylanilino)acetamide is sourced from PubChem (CID 968237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).