N-(2,4-dichlorophenyl)pent-4-enamide

C11H11Cl2NO — CID 121218276

IUPACN-(2,4-dichlorophenyl)pent-4-enamide
SMILESC=CCCC(=O)Nc1ccc(Cl)cc1Cl
InChIInChI=1S/C11H11Cl2NO/c1-2-3-4-11(15)14-10-6-5-8(12)7-9(10)13/h2,5-7H,1,3-4H2,(H,14,15)
InChIKeyDMGDLKSCIGDJMK-UHFFFAOYSA-N
MW244.12 g/mol
LogP3.90
Rot. Bonds4

About N-(2,4-dichlorophenyl)pent-4-enamide

N-(2,4-dichlorophenyl)pent-4-enamide (PubChem CID 121218276) has the molecular formula C11H11Cl2NO and a molecular weight of 244.12 g/mol. Its IUPAC name is N-(2,4-dichlorophenyl)pent-4-enamide.

Molecular Properties

Compound NameN-(2,4-dichlorophenyl)pent-4-enamide
PubChem CID121218276
Molecular FormulaC11H11Cl2NO
Molecular Weight244.12 g/mol
Exact Mass243.02
IUPAC NameN-(2,4-dichlorophenyl)pent-4-enamide
SMILESC=CCCC(=O)Nc1ccc(Cl)cc1Cl
InChIInChI=1S/C11H11Cl2NO/c1-2-3-4-11(15)14-10-6-5-8(12)7-9(10)13/h2,5-7H,1,3-4H2,(H,14,15)
InChIKeyDMGDLKSCIGDJMK-UHFFFAOYSA-N
XLogP3.90
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.12
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(4-chloro-2-fluorophenyl)pent-4-enamide
CID 155976880
5-chloro-N-(2,4-dichlorophenyl)pentanamide
CID 28727917
methyl 4-(2,4-dichloroanilino)-4-oxobutanoate
CID 823383
N-(2,4-dichlorophenyl)propanamide
CID 923083
2-(2,4-dichloroanilino)-N-(2,4-dichlorophenyl)acetamide
CID 54811499
N,N'-bis(2,4-dichlorophenyl)-2,2-dimethylpentanediamide
CID 6610958
1-(2,4-dichlorophenyl)-3-ethenylurea
CID 108909057
N-(4-chlorophenyl)-N'-(2,4-dichlorophenyl)propanediamide
CID 108955063
methyl N-[[4-(2,4-dichloroanilino)-4-oxobutanoyl]amino]carbamate
CID 4928103
3-(cyclopropylamino)-N-(2,4-dichlorophenyl)propanamide
CID 60722944
N-(2-chlorophenyl)-3-(2,4-dichloroanilino)propanamide
CID 109037852
5-amino-N-(2,4-dichlorophenyl)-4-methylpentanamide
CID 82683232

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dichlorophenyl)pent-4-enamide?
The IUPAC name of N-(2,4-dichlorophenyl)pent-4-enamide (CID 121218276) is N-(2,4-dichlorophenyl)pent-4-enamide.
What is the SMILES notation for N-(2,4-dichlorophenyl)pent-4-enamide?
The canonical SMILES for N-(2,4-dichlorophenyl)pent-4-enamide is C=CCCC(=O)Nc1ccc(Cl)cc1Cl.
What is the InChIKey of N-(2,4-dichlorophenyl)pent-4-enamide?
The InChIKey is DMGDLKSCIGDJMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11Cl2NO/c1-2-3-4-11(15)14-10-6-5-8(12)7-9(10)13/h2,5-7H,1,3-4H2,(H,14,15).
What are the key properties of N-(2,4-dichlorophenyl)pent-4-enamide?
N-(2,4-dichlorophenyl)pent-4-enamide has a molecular weight of 244.12 g/mol, XLogP of 3.90, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dichlorophenyl)pent-4-enamide is sourced from PubChem (CID 121218276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).