N-(2,4-dichlorophenyl)-3-methylbut-2-enamide

C11H11Cl2NO — CID 19177474

IUPACN-(2,4-dichlorophenyl)-3-methylbut-2-enamide
SMILESCC(C)=CC(=O)Nc1ccc(Cl)cc1Cl
InChIInChI=1S/C11H11Cl2NO/c1-7(2)5-11(15)14-10-4-3-8(12)6-9(10)13/h3-6H,1-2H3,(H,14,15)
InChIKeyOUNUITDMGSCMRN-UHFFFAOYSA-N
MW244.12 g/mol
LogP3.90
Rot. Bonds2

About N-(2,4-dichlorophenyl)-3-methylbut-2-enamide

N-(2,4-dichlorophenyl)-3-methylbut-2-enamide (PubChem CID 19177474) has the molecular formula C11H11Cl2NO and a molecular weight of 244.12 g/mol. Its IUPAC name is N-(2,4-dichlorophenyl)-3-methylbut-2-enamide.

Molecular Properties

Compound NameN-(2,4-dichlorophenyl)-3-methylbut-2-enamide
PubChem CID19177474
Molecular FormulaC11H11Cl2NO
Molecular Weight244.12 g/mol
Exact Mass243.02
IUPAC NameN-(2,4-dichlorophenyl)-3-methylbut-2-enamide
SMILESCC(C)=CC(=O)Nc1ccc(Cl)cc1Cl
InChIInChI=1S/C11H11Cl2NO/c1-7(2)5-11(15)14-10-4-3-8(12)6-9(10)13/h3-6H,1-2H3,(H,14,15)
InChIKeyOUNUITDMGSCMRN-UHFFFAOYSA-N
XLogP3.90
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
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': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-(2-chloro-4-methylphenyl)-3-methylbut-2-enamide
CID 30734863
5-chloro-2-(3-methylbut-2-enoylamino)benzoic acid
CID 29069723
N-(2-chloro-5-methylphenyl)-3-methylbut-2-enamide
CID 130162808
(E)-4-(2,5-dichloroanilino)-2-methyl-4-oxobut-2-enoic acid
CID 82335576
N-(5-chloro-2-propoxyphenyl)-3-methylbut-2-enamide
CID 47310185
N-(2,4-dichlorophenyl)propanamide
CID 923083
(Z)-4-(2,4-dichloroanilino)-2,3-dimethyl-4-oxobut-2-enoic acid
CID 63266947
1-(2,4-dichlorophenyl)-3-hydroxyurea
CID 4295489
2,6-dichloro-N-(2,4-dichlorophenyl)benzamide
CID 3637585
2,2-dichloro-N-(2,4-dichlorophenyl)propanamide
CID 521736
2-N,5-N-bis(2,4-dichlorophenyl)thiophene-2,5-dicarboxamide
CID 2329395
N-(4-chloro-3-pyridinyl)-3-methylbut-2-enamide
CID 103670335

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dichlorophenyl)-3-methylbut-2-enamide?
The IUPAC name of N-(2,4-dichlorophenyl)-3-methylbut-2-enamide (CID 19177474) is N-(2,4-dichlorophenyl)-3-methylbut-2-enamide.
What is the SMILES notation for N-(2,4-dichlorophenyl)-3-methylbut-2-enamide?
The canonical SMILES for N-(2,4-dichlorophenyl)-3-methylbut-2-enamide is CC(C)=CC(=O)Nc1ccc(Cl)cc1Cl.
What is the InChIKey of N-(2,4-dichlorophenyl)-3-methylbut-2-enamide?
The InChIKey is OUNUITDMGSCMRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11Cl2NO/c1-7(2)5-11(15)14-10-4-3-8(12)6-9(10)13/h3-6H,1-2H3,(H,14,15).
What are the key properties of N-(2,4-dichlorophenyl)-3-methylbut-2-enamide?
N-(2,4-dichlorophenyl)-3-methylbut-2-enamide has a molecular weight of 244.12 g/mol, XLogP of 3.90, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dichlorophenyl)-3-methylbut-2-enamide is sourced from PubChem (CID 19177474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).