2-(2-chloroanilino)-N-[(2-methylphenyl)methylideneamino]acetamide

C16H16ClN3O — CID 968113

IUPAC2-(2-chloroanilino)-N-[(2-methylphenyl)methylideneamino]acetamide
SMILESCc1ccccc1C=NNC(=O)CNc1ccccc1Cl
InChIInChI=1S/C16H16ClN3O/c1-12-6-2-3-7-13(12)10-19-20-16(21)11-18-15-9-5-4-8-14(15)17/h2-10,18H,11H2,1H3,(H,20,21)
InChIKeyNNAKHEHFFWIMEJ-UHFFFAOYSA-N
MW301.78 g/mol
LogP3.21
Rot. Bonds5

About 2-(2-chloroanilino)-N-[(2-methylphenyl)methylideneamino]acetamide

2-(2-chloroanilino)-N-[(2-methylphenyl)methylideneamino]acetamide (PubChem CID 968113) has the molecular formula C16H16ClN3O and a molecular weight of 301.78 g/mol. Its IUPAC name is 2-(2-chloroanilino)-N-[(2-methylphenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-(2-chloroanilino)-N-[(2-methylphenyl)methylideneamino]acetamide
PubChem CID968113
Molecular FormulaC16H16ClN3O
Molecular Weight301.78 g/mol
Exact Mass301.10
IUPAC Name2-(2-chloroanilino)-N-[(2-methylphenyl)methylideneamino]acetamide
SMILESCc1ccccc1C=NNC(=O)CNc1ccccc1Cl
InChIInChI=1S/C16H16ClN3O/c1-12-6-2-3-7-13(12)10-19-20-16(21)11-18-15-9-5-4-8-14(15)17/h2-10,18H,11H2,1H3,(H,20,21)
InChIKeyNNAKHEHFFWIMEJ-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-(2-methylanilino)-N-[(2-methylphenyl)methylideneamino]acetamide
CID 870845
2-anilino-N-[(Z)-(2-methylphenyl)methylideneamino]acetamide
CID 7638625
N-[(Z)-benzylideneamino]-2-(2-chloroanilino)acetamide
CID 5427716
2-(2-chloroanilino)-N-[(Z)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]acetamide
CID 136866501
N-[(2-chlorophenyl)methylideneamino]-2-(4-iodo-2-methylanilino)acetamide
CID 3930729
2-(2-chloro-3-fluoroanilino)-N-[(E)-(2-chlorophenyl)methylideneamino]acetamide
CID 71699766
N-[(3,4-dichlorophenyl)methylideneamino]-2-(2-methylanilino)acetamide
CID 4111290
N-(benzylideneamino)-2-(3-chloro-2-methylanilino)acetamide
CID 968237
2-(2-chloroanilino)-N-[(Z)-(3-chlorophenyl)methylideneamino]acetamide
CID 5427729
2-(2-chloroanilino)-N-[(Z)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]acetamide
CID 136896528
2-(2-chloroanilino)-N-(2,3-dimethylphenyl)acetamide
CID 9098705
2-chloro-N-[(2-methylphenyl)methylideneamino]benzamide
CID 775121

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloroanilino)-N-[(2-methylphenyl)methylideneamino]acetamide?
The IUPAC name of 2-(2-chloroanilino)-N-[(2-methylphenyl)methylideneamino]acetamide (CID 968113) is 2-(2-chloroanilino)-N-[(2-methylphenyl)methylideneamino]acetamide.
What is the SMILES notation for 2-(2-chloroanilino)-N-[(2-methylphenyl)methylideneamino]acetamide?
The canonical SMILES for 2-(2-chloroanilino)-N-[(2-methylphenyl)methylideneamino]acetamide is Cc1ccccc1C=NNC(=O)CNc1ccccc1Cl.
What is the InChIKey of 2-(2-chloroanilino)-N-[(2-methylphenyl)methylideneamino]acetamide?
The InChIKey is NNAKHEHFFWIMEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN3O/c1-12-6-2-3-7-13(12)10-19-20-16(21)11-18-15-9-5-4-8-14(15)17/h2-10,18H,11H2,1H3,(H,20,21).
What are the key properties of 2-(2-chloroanilino)-N-[(2-methylphenyl)methylideneamino]acetamide?
2-(2-chloroanilino)-N-[(2-methylphenyl)methylideneamino]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 2-(2-chloroanilino)-N-[(2-methylphenyl)methylideneamino]acetamide is sourced from PubChem (CID 968113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).