3-[[amino-(3,5-dimethylanilino)methylidene]amino]-N-(3-chloro-2-methylphenyl)propanamide

C19H23ClN4O — CID 111092416

IUPAC3-[[amino-(3,5-dimethylanilino)methylidene]amino]-N-(3-chloro-2-methylphenyl)propanamide
SMILESCc1cc(C)cc(N/C(N)=N/CCC(=O)Nc2cccc(Cl)c2C)c1
InChIInChI=1S/C19H23ClN4O/c1-12-9-13(2)11-15(10-12)23-19(21)22-8-7-18(25)24-17-6-4-5-16(20)14(17)3/h4-6,9-11H,7-8H2,1-3H3,(H,24,25)(H3,21,22,23)
InChIKeyAAIRWHISGZHKSS-UHFFFAOYSA-N
MW358.87 g/mol
LogP4.02
Rot. Bonds5

About 3-[[amino-(3,5-dimethylanilino)methylidene]amino]-N-(3-chloro-2-methylphenyl)propanamide

3-[[amino-(3,5-dimethylanilino)methylidene]amino]-N-(3-chloro-2-methylphenyl)propanamide (PubChem CID 111092416) has the molecular formula C19H23ClN4O and a molecular weight of 358.87 g/mol. Its IUPAC name is 3-[[amino-(3,5-dimethylanilino)methylidene]amino]-N-(3-chloro-2-methylphenyl)propanamide.

Molecular Properties

Compound Name3-[[amino-(3,5-dimethylanilino)methylidene]amino]-N-(3-chloro-2-methylphenyl)propanamide
PubChem CID111092416
Molecular FormulaC19H23ClN4O
Molecular Weight358.87 g/mol
Exact Mass358.16
IUPAC Name3-[[amino-(3,5-dimethylanilino)methylidene]amino]-N-(3-chloro-2-methylphenyl)propanamide
SMILESCc1cc(C)cc(N/C(N)=N/CCC(=O)Nc2cccc(Cl)c2C)c1
InChIInChI=1S/C19H23ClN4O/c1-12-9-13(2)11-15(10-12)23-19(21)22-8-7-18(25)24-17-6-4-5-16(20)14(17)3/h4-6,9-11H,7-8H2,1-3H3,(H,24,25)(H3,21,22,23)
InChIKeyAAIRWHISGZHKSS-UHFFFAOYSA-N
XLogP4.02
TPSA79.51 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.87
LogP ≤ 54.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 3-[[amino-(3,5-dimethylanilino)methylidene]amino]-N-(3-chloro-2-methylphenyl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[[amino-(3,5-dimethylanilino)methylidene]amino]-N-(2-chloro-4-methylphenyl)propanamide;hydroiodide
CID 111099673
3-[[amino-(2,3-dihydro-1H-inden-5-ylamino)methylidene]amino]-N-(3-chloro-2-methylphenyl)propanamide;hydroiodide
CID 111092453
3-[[amino-(tert-butylamino)methylidene]amino]-N-(3-chloro-2-methylphenyl)propanamide;hydroiodide
CID 111092419
3-[[amino-(2,5-dimethoxyanilino)methylidene]amino]-N-(3-chloro-2-methylphenyl)propanamide;hydroiodide
CID 111092447
3-[[amino-(3,5-dimethylanilino)methylidene]amino]-N-(5-bromo-2-methylphenyl)propanamide
CID 111094215
N,N'-bis(3-chloro-2-methylphenyl)butanediamide
CID 1226548
N-(3-chloro-2-methylphenyl)-2-[(3,5-dimethylphenyl)carbamothioylamino]acetamide
CID 9216946
2-bromo-N-(3-chloro-2-methylphenyl)acetamide
CID 3414721
N,N'-bis(3-chloro-2-methylphenyl)hexanediamide
CID 4050802
3-[[amino(thiomorpholin-4-yl)methylidene]amino]-N-(3-chloro-2-methylphenyl)propanamide
CID 111092466
N,N'-bis(3-chloro-2-methylphenyl)decanediamide
CID 17080098
N-(3-chloro-2-methylphenyl)-3-[[ethylamino-(prop-2-ynylamino)methylidene]amino]propanamide
CID 136921937

Frequently Asked Questions

What is the IUPAC name of 3-[[amino-(3,5-dimethylanilino)methylidene]amino]-N-(3-chloro-2-methylphenyl)propanamide?
The IUPAC name of 3-[[amino-(3,5-dimethylanilino)methylidene]amino]-N-(3-chloro-2-methylphenyl)propanamide (CID 111092416) is 3-[[amino-(3,5-dimethylanilino)methylidene]amino]-N-(3-chloro-2-methylphenyl)propanamide.
What is the SMILES notation for 3-[[amino-(3,5-dimethylanilino)methylidene]amino]-N-(3-chloro-2-methylphenyl)propanamide?
The canonical SMILES for 3-[[amino-(3,5-dimethylanilino)methylidene]amino]-N-(3-chloro-2-methylphenyl)propanamide is Cc1cc(C)cc(N/C(N)=N/CCC(=O)Nc2cccc(Cl)c2C)c1.
What is the InChIKey of 3-[[amino-(3,5-dimethylanilino)methylidene]amino]-N-(3-chloro-2-methylphenyl)propanamide?
The InChIKey is AAIRWHISGZHKSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN4O/c1-12-9-13(2)11-15(10-12)23-19(21)22-8-7-18(25)24-17-6-4-5-16(20)14(17)3/h4-6,9-11H,7-8H2,1-3H3,(H,24,25)(H3,21,22,23).
What are the key properties of 3-[[amino-(3,5-dimethylanilino)methylidene]amino]-N-(3-chloro-2-methylphenyl)propanamide?
3-[[amino-(3,5-dimethylanilino)methylidene]amino]-N-(3-chloro-2-methylphenyl)propanamide has a molecular weight of 358.87 g/mol, XLogP of 4.02, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[amino-(3,5-dimethylanilino)methylidene]amino]-N-(3-chloro-2-methylphenyl)propanamide is sourced from PubChem (CID 111092416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).