2-(3,4-dichloroanilino)-N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]acetamide

C19H22Cl2N4O — CID 6034971

IUPAC2-(3,4-dichloroanilino)-N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]acetamide
SMILESCCN(CC)c1ccc(/C=N\NC(=O)CNc2ccc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C19H22Cl2N4O/c1-3-25(4-2)16-8-5-14(6-9-16)12-23-24-19(26)13-22-15-7-10-17(20)18(21)11-15/h5-12,22H,3-4,13H2,1-2H3,(H,24,26)/b23-12-
InChIKeyHUDJGWDRWXOORD-FMCGGJTJSA-N
MW393.32 g/mol
LogP4.40
Rot. Bonds8

About 2-(3,4-dichloroanilino)-N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]acetamide

2-(3,4-dichloroanilino)-N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]acetamide (PubChem CID 6034971) has the molecular formula C19H22Cl2N4O and a molecular weight of 393.32 g/mol. Its IUPAC name is 2-(3,4-dichloroanilino)-N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]acetamide.

Molecular Properties

Compound Name2-(3,4-dichloroanilino)-N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]acetamide
PubChem CID6034971
Molecular FormulaC19H22Cl2N4O
Molecular Weight393.32 g/mol
Exact Mass392.12
IUPAC Name2-(3,4-dichloroanilino)-N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]acetamide
SMILESCCN(CC)c1ccc(/C=N\NC(=O)CNc2ccc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C19H22Cl2N4O/c1-3-25(4-2)16-8-5-14(6-9-16)12-23-24-19(26)13-22-15-7-10-17(20)18(21)11-15/h5-12,22H,3-4,13H2,1-2H3,(H,24,26)/b23-12-
InChIKeyHUDJGWDRWXOORD-FMCGGJTJSA-N
XLogP4.40
TPSA56.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.32
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-(3,4-dichlorophenyl)-N'-[(E)-[4-(diethylamino)phenyl]methylideneamino]oxamide
CID 19658700
2-(4-bromoanilino)-N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]acetamide
CID 6107639
2-(3,4-dichloroanilino)-N-[(4-propan-2-ylphenyl)methylideneamino]acetamide
CID 5016763
N-[[4-(diethylamino)phenyl]methylideneamino]-2-[3-(trifluoromethyl)anilino]acetamide
CID 2353577
2-chloro-N-[2-[2-[[4-(diethylamino)phenyl]methylidene]hydrazinyl]-2-oxoethyl]benzamide
CID 3943477
N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]-2-(2-methylanilino)acetamide
CID 5414254
1,3-bis[(E)-[4-(diethylamino)phenyl]methylideneamino]urea
CID 5335044
[2-[(2E)-2-[[4-(diethylamino)phenyl]methylidene]hydrazinyl]-2-oxoethyl]-trimethylazanium chloride
CID 54599008
N-(3-chloro-4-methylphenyl)-N'-[[4-(diethylamino)phenyl]methylideneamino]oxamide
CID 3477063
N-[(E)-[4-(diethylamino)phenyl]methylideneamino]-2-(2-methoxyanilino)acetamide
CID 6910799
N-[[4-(diethylamino)phenyl]methylideneamino]-2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)amino]acetamide
CID 1181956
2-(4-chloroanilino)-N-[(4-chlorophenyl)methylideneamino]acetamide
CID 690289

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichloroanilino)-N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]acetamide?
The IUPAC name of 2-(3,4-dichloroanilino)-N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]acetamide (CID 6034971) is 2-(3,4-dichloroanilino)-N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]acetamide.
What is the SMILES notation for 2-(3,4-dichloroanilino)-N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]acetamide?
The canonical SMILES for 2-(3,4-dichloroanilino)-N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]acetamide is CCN(CC)c1ccc(/C=N\NC(=O)CNc2ccc(Cl)c(Cl)c2)cc1.
What is the InChIKey of 2-(3,4-dichloroanilino)-N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]acetamide?
The InChIKey is HUDJGWDRWXOORD-FMCGGJTJSA-N. The full InChI is InChI=1S/C19H22Cl2N4O/c1-3-25(4-2)16-8-5-14(6-9-16)12-23-24-19(26)13-22-15-7-10-17(20)18(21)11-15/h5-12,22H,3-4,13H2,1-2H3,(H,24,26)/b23-12-.
What are the key properties of 2-(3,4-dichloroanilino)-N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]acetamide?
2-(3,4-dichloroanilino)-N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]acetamide has a molecular weight of 393.32 g/mol, XLogP of 4.40, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dichloroanilino)-N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]acetamide is sourced from PubChem (CID 6034971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).