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

C16H15Cl2N3O — CID 872216

IUPACN-[(2,3-dichlorophenyl)methylideneamino]-2-(4-methylanilino)acetamide
SMILESCc1ccc(NCC(=O)NN=Cc2cccc(Cl)c2Cl)cc1
InChIInChI=1S/C16H15Cl2N3O/c1-11-5-7-13(8-6-11)19-10-15(22)21-20-9-12-3-2-4-14(17)16(12)18/h2-9,19H,10H2,1H3,(H,21,22)
InChIKeyGZNVRAXQZJYOQJ-UHFFFAOYSA-N
MW336.22 g/mol
LogP3.86
Rot. Bonds5

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

N-[(2,3-dichlorophenyl)methylideneamino]-2-(4-methylanilino)acetamide (PubChem CID 872216) has the molecular formula C16H15Cl2N3O and a molecular weight of 336.22 g/mol. Its IUPAC name is N-[(2,3-dichlorophenyl)methylideneamino]-2-(4-methylanilino)acetamide.

Molecular Properties

Compound NameN-[(2,3-dichlorophenyl)methylideneamino]-2-(4-methylanilino)acetamide
PubChem CID872216
Molecular FormulaC16H15Cl2N3O
Molecular Weight336.22 g/mol
Exact Mass335.06
IUPAC NameN-[(2,3-dichlorophenyl)methylideneamino]-2-(4-methylanilino)acetamide
SMILESCc1ccc(NCC(=O)NN=Cc2cccc(Cl)c2Cl)cc1
InChIInChI=1S/C16H15Cl2N3O/c1-11-5-7-13(8-6-11)19-10-15(22)21-20-9-12-3-2-4-14(17)16(12)18/h2-9,19H,10H2,1H3,(H,21,22)
InChIKeyGZNVRAXQZJYOQJ-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

N-[2-[2-[(2,3-dichlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]-4-methylbenzamide
CID 3322894
2-(4-methylanilino)-N-[(Z)-naphthalen-1-ylmethylideneamino]acetamide
CID 5393375
N-[(E)-(2,3-dichlorophenyl)methylideneamino]propanamide
CID 154646210
N-[(E)-(2,3-dichlorophenyl)methylideneamino]-4-methylbenzamide
CID 5333191
N-[(4-chlorophenyl)methylideneamino]-2-(4-methylanilino)acetamide
CID 689465
N-[(Z)-(2,3-dichlorophenyl)methylideneamino]acetamide
CID 6294643
N-(benzylideneamino)-2-(4-methylanilino)acetamide
CID 689462
N-[(E)-(2,3-dichlorophenyl)methylideneamino]-2-[2-[(2E)-2-[(2,3-dichlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]sulfanylacetamide
CID 171981130
N-[(Z)-(2,3-dichlorophenyl)methylideneamino]-4-methylaniline
CID 9059450
2-anilino-N-[(Z)-(2-methylphenyl)methylideneamino]acetamide
CID 7638625
N-[2-[2-[(2-chlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]-4-methylbenzamide
CID 3859843
4-chloro-N-[2-[2-[(2,3-dichlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide
CID 3496807

Frequently Asked Questions

What is the IUPAC name of N-[(2,3-dichlorophenyl)methylideneamino]-2-(4-methylanilino)acetamide?
The IUPAC name of N-[(2,3-dichlorophenyl)methylideneamino]-2-(4-methylanilino)acetamide (CID 872216) is N-[(2,3-dichlorophenyl)methylideneamino]-2-(4-methylanilino)acetamide.
What is the SMILES notation for N-[(2,3-dichlorophenyl)methylideneamino]-2-(4-methylanilino)acetamide?
The canonical SMILES for N-[(2,3-dichlorophenyl)methylideneamino]-2-(4-methylanilino)acetamide is Cc1ccc(NCC(=O)NN=Cc2cccc(Cl)c2Cl)cc1.
What is the InChIKey of N-[(2,3-dichlorophenyl)methylideneamino]-2-(4-methylanilino)acetamide?
The InChIKey is GZNVRAXQZJYOQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl2N3O/c1-11-5-7-13(8-6-11)19-10-15(22)21-20-9-12-3-2-4-14(17)16(12)18/h2-9,19H,10H2,1H3,(H,21,22).
What are the key properties of N-[(2,3-dichlorophenyl)methylideneamino]-2-(4-methylanilino)acetamide?
N-[(2,3-dichlorophenyl)methylideneamino]-2-(4-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-[(2,3-dichlorophenyl)methylideneamino]-2-(4-methylanilino)acetamide is sourced from PubChem (CID 872216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).