4-[(Z)-N-(4-chloroanilino)-C-methylcarbonimidoyl]-N,N-dimethylaniline

C16H18ClN3 — CID 9015378

IUPAC4-[(Z)-N-(4-chloroanilino)-C-methylcarbonimidoyl]-N,N-dimethylaniline
SMILESC/C(=N/Nc1ccc(Cl)cc1)c1ccc(N(C)C)cc1
InChIInChI=1S/C16H18ClN3/c1-12(13-4-10-16(11-5-13)20(2)3)18-19-15-8-6-14(17)7-9-15/h4-11,19H,1-3H3/b18-12-
InChIKeyVVRVHJUWYPDDQG-PDGQHHTCSA-N
MW287.79 g/mol
LogP4.24
Rot. Bonds4

About 4-[(Z)-N-(4-chloroanilino)-C-methylcarbonimidoyl]-N,N-dimethylaniline

4-[(Z)-N-(4-chloroanilino)-C-methylcarbonimidoyl]-N,N-dimethylaniline (PubChem CID 9015378) has the molecular formula C16H18ClN3 and a molecular weight of 287.79 g/mol. Its IUPAC name is 4-[(Z)-N-(4-chloroanilino)-C-methylcarbonimidoyl]-N,N-dimethylaniline.

Molecular Properties

Compound Name4-[(Z)-N-(4-chloroanilino)-C-methylcarbonimidoyl]-N,N-dimethylaniline
PubChem CID9015378
Molecular FormulaC16H18ClN3
Molecular Weight287.79 g/mol
Exact Mass287.12
IUPAC Name4-[(Z)-N-(4-chloroanilino)-C-methylcarbonimidoyl]-N,N-dimethylaniline
SMILESC/C(=N/Nc1ccc(Cl)cc1)c1ccc(N(C)C)cc1
InChIInChI=1S/C16H18ClN3/c1-12(13-4-10-16(11-5-13)20(2)3)18-19-15-8-6-14(17)7-9-15/h4-11,19H,1-3H3/b18-12-
InChIKeyVVRVHJUWYPDDQG-PDGQHHTCSA-N
XLogP4.24
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.79
LogP ≤ 54.24
H-Bond Donors ≤ 51
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'}

Analyze 4-[(Z)-N-(4-chloroanilino)-C-methylcarbonimidoyl]-N,N-dimethylaniline 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

4-chloro-N-(1-phenylethylideneamino)aniline
CID 78572712
4-[(2E)-2-[1-(4-chlorophenyl)ethylidene]hydrazinyl]benzenesulfonamide
CID 7066751
4-chloro-N-[2-[(2Z)-2-[1-[4-(dimethylamino)phenyl]ethylidene]hydrazinyl]-2-oxoethyl]benzamide
CID 6076795
N-(4-chlorophenyl)ethanehydrazonoyl chloride
CID 86039764
1-(4-chlorophenyl)-3-[4-[C-methyl-N-[4-(trifluoromethyl)anilino]carbonimidoyl]phenyl]urea
CID 3694395
6-chloro-N-[1-[4-(dimethylamino)phenyl]ethylideneamino]-2-methylpyrimidin-4-amine
CID 72577519
4-(4-chlorophenyl)-N,N-dimethylaniline
CID 2757476
2,4,6-trichloro-N-[1-(4-chlorophenyl)ethylideneamino]aniline
CID 4291691
4-chloro-3-[(2Z)-2-[1-[4-(dimethylamino)phenyl]ethylidene]hydrazinyl]benzoic acid
CID 8974194
N-[(Z)-1-[4-(dimethylamino)phenyl]ethylideneamino]-4,6-dimethylpyrimidin-2-amine
CID 9013557
N-[(Z)-1-[4-(dimethylamino)phenyl]ethylideneamino]-2,4-difluoroaniline
CID 9058365
4-chloro-N-[(Z)-1-(2-fluorophenyl)ethylideneamino]aniline
CID 7937205

Frequently Asked Questions

What is the IUPAC name of 4-[(Z)-N-(4-chloroanilino)-C-methylcarbonimidoyl]-N,N-dimethylaniline?
The IUPAC name of 4-[(Z)-N-(4-chloroanilino)-C-methylcarbonimidoyl]-N,N-dimethylaniline (CID 9015378) is 4-[(Z)-N-(4-chloroanilino)-C-methylcarbonimidoyl]-N,N-dimethylaniline.
What is the SMILES notation for 4-[(Z)-N-(4-chloroanilino)-C-methylcarbonimidoyl]-N,N-dimethylaniline?
The canonical SMILES for 4-[(Z)-N-(4-chloroanilino)-C-methylcarbonimidoyl]-N,N-dimethylaniline is C/C(=N/Nc1ccc(Cl)cc1)c1ccc(N(C)C)cc1.
What is the InChIKey of 4-[(Z)-N-(4-chloroanilino)-C-methylcarbonimidoyl]-N,N-dimethylaniline?
The InChIKey is VVRVHJUWYPDDQG-PDGQHHTCSA-N. The full InChI is InChI=1S/C16H18ClN3/c1-12(13-4-10-16(11-5-13)20(2)3)18-19-15-8-6-14(17)7-9-15/h4-11,19H,1-3H3/b18-12-.
What are the key properties of 4-[(Z)-N-(4-chloroanilino)-C-methylcarbonimidoyl]-N,N-dimethylaniline?
4-[(Z)-N-(4-chloroanilino)-C-methylcarbonimidoyl]-N,N-dimethylaniline has a molecular weight of 287.79 g/mol, XLogP of 4.24, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(Z)-N-(4-chloroanilino)-C-methylcarbonimidoyl]-N,N-dimethylaniline is sourced from PubChem (CID 9015378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).