4-(4-chlorophenyl)-4-(2,4-dichloroanilino)-2-iminopentanamide

C17H16Cl3N3O — CID 143723690

IUPAC4-(4-chlorophenyl)-4-(2,4-dichloroanilino)-2-iminopentanamide
SMILES[H]/N=C(/CC(C)(Nc1ccc(Cl)cc1Cl)c1ccc(Cl)cc1)C(N)=O
InChIInChI=1S/C17H16Cl3N3O/c1-17(9-14(21)16(22)24,10-2-4-11(18)5-3-10)23-15-7-6-12(19)8-13(15)20/h2-8,21,23H,9H2,1H3,(H2,22,24)/b21-14-
InChIKeyALMJSMTUCWUZQN-STZFKDTASA-N
MW384.69 g/mol
LogP4.87
Rot. Bonds6

About 4-(4-chlorophenyl)-4-(2,4-dichloroanilino)-2-iminopentanamide

4-(4-chlorophenyl)-4-(2,4-dichloroanilino)-2-iminopentanamide (PubChem CID 143723690) has the molecular formula C17H16Cl3N3O and a molecular weight of 384.69 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-4-(2,4-dichloroanilino)-2-iminopentanamide.

Molecular Properties

Compound Name4-(4-chlorophenyl)-4-(2,4-dichloroanilino)-2-iminopentanamide
PubChem CID143723690
Molecular FormulaC17H16Cl3N3O
Molecular Weight384.69 g/mol
Exact Mass383.04
IUPAC Name4-(4-chlorophenyl)-4-(2,4-dichloroanilino)-2-iminopentanamide
SMILES[H]/N=C(/CC(C)(Nc1ccc(Cl)cc1Cl)c1ccc(Cl)cc1)C(N)=O
InChIInChI=1S/C17H16Cl3N3O/c1-17(9-14(21)16(22)24,10-2-4-11(18)5-3-10)23-15-7-6-12(19)8-13(15)20/h2-8,21,23H,9H2,1H3,(H2,22,24)/b21-14-
InChIKeyALMJSMTUCWUZQN-STZFKDTASA-N
XLogP4.87
TPSA78.97 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.69
LogP ≤ 54.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2,4-dichlorophenyl)-3,3-dimethylbutanamide
CID 884679
4-tert-butyl-N-(2,4-dichlorophenyl)benzamide
CID 773784
2-(2-chloroanilino)-2-(4-chlorophenyl)propan-1-ol
CID 61050132
2,2-dichloro-N-(2,4-dichlorophenyl)propanamide
CID 521736
2-(4-tert-butylphenoxy)-N-(2,4-dichlorophenyl)acetamide
CID 3380157
2-(4-tert-butylphenyl)sulfanyl-N-(2,4-dichlorophenyl)acetamide
CID 5197742
5-(2,4-dichloroanilino)-3,3-dimethyl-5-oxopentanoate
CID 4744778
2-(2,4-dichlorophenyl)-2-(propan-2-ylamino)propanamide
CID 54918479
N-(2,4-dichlorophenyl)propanamide
CID 923083
4-[(2,4-dichlorophenyl)carbamoylamino]-2,2-dimethyl-4-oxobutanoic acid
CID 65300019
3-(4-chloro-2-cyanoanilino)-3-methylbutanamide
CID 106096695
2-(2-chloroanilino)-2-(3-chloro-4-fluorophenyl)propanamide
CID 60996580

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-4-(2,4-dichloroanilino)-2-iminopentanamide?
The IUPAC name of 4-(4-chlorophenyl)-4-(2,4-dichloroanilino)-2-iminopentanamide (CID 143723690) is 4-(4-chlorophenyl)-4-(2,4-dichloroanilino)-2-iminopentanamide.
What is the SMILES notation for 4-(4-chlorophenyl)-4-(2,4-dichloroanilino)-2-iminopentanamide?
The canonical SMILES for 4-(4-chlorophenyl)-4-(2,4-dichloroanilino)-2-iminopentanamide is [H]/N=C(/CC(C)(Nc1ccc(Cl)cc1Cl)c1ccc(Cl)cc1)C(N)=O.
What is the InChIKey of 4-(4-chlorophenyl)-4-(2,4-dichloroanilino)-2-iminopentanamide?
The InChIKey is ALMJSMTUCWUZQN-STZFKDTASA-N. The full InChI is InChI=1S/C17H16Cl3N3O/c1-17(9-14(21)16(22)24,10-2-4-11(18)5-3-10)23-15-7-6-12(19)8-13(15)20/h2-8,21,23H,9H2,1H3,(H2,22,24)/b21-14-.
What are the key properties of 4-(4-chlorophenyl)-4-(2,4-dichloroanilino)-2-iminopentanamide?
4-(4-chlorophenyl)-4-(2,4-dichloroanilino)-2-iminopentanamide has a molecular weight of 384.69 g/mol, XLogP of 4.87, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-4-(2,4-dichloroanilino)-2-iminopentanamide is sourced from PubChem (CID 143723690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).