3-chloro-N-(3,4-dichlorophenyl)but-2-enamide

C10H8Cl3NO — CID 54340500

IUPAC3-chloro-N-(3,4-dichlorophenyl)but-2-enamide
SMILESCC(Cl)=CC(=O)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C10H8Cl3NO/c1-6(11)4-10(15)14-7-2-3-8(12)9(13)5-7/h2-5H,1H3,(H,14,15)
InChIKeyTYPHGWRHHJCRTB-UHFFFAOYSA-N
MW264.54 g/mol
LogP4.07
Rot. Bonds2

About 3-chloro-N-(3,4-dichlorophenyl)but-2-enamide

3-chloro-N-(3,4-dichlorophenyl)but-2-enamide (PubChem CID 54340500) has the molecular formula C10H8Cl3NO and a molecular weight of 264.54 g/mol. Its IUPAC name is 3-chloro-N-(3,4-dichlorophenyl)but-2-enamide.

Molecular Properties

Compound Name3-chloro-N-(3,4-dichlorophenyl)but-2-enamide
PubChem CID54340500
Molecular FormulaC10H8Cl3NO
Molecular Weight264.54 g/mol
Exact Mass262.97
IUPAC Name3-chloro-N-(3,4-dichlorophenyl)but-2-enamide
SMILESCC(Cl)=CC(=O)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C10H8Cl3NO/c1-6(11)4-10(15)14-7-2-3-8(12)9(13)5-7/h2-5H,1H3,(H,14,15)
InChIKeyTYPHGWRHHJCRTB-UHFFFAOYSA-N
XLogP4.07
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.54
LogP ≤ 54.07
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-(3-chloro-4-methylphenyl)-3-methylbut-2-enamide
CID 19177488
methyl (Z)-3-(3,4-dichloroanilino)but-2-enoate
CID 139239204
4-(3,4-dichloroanilino)-4-oxobut-2-enoate
CID 4065684
3-[2-(4-tert-butylbenzoyl)hydrazinyl]-N-(3,4-dichlorophenyl)but-2-enamide
CID 4122824
N-(3,4-dichlorophenyl)-2-methylprop-2-enamide
CID 16560
(E)-N-(3,4-dichlorophenyl)hex-2-enamide
CID 134122925
3-(3,4-dichloroanilino)-1-phenylbut-2-en-1-one
CID 867749
N-(4-chloro-3-fluorophenyl)acetamide
CID 60776248
1-(3-chloro-4-hydroxyphenyl)-3-(3,4-dichlorophenyl)urea
CID 64788304
S-methyl N-(3,4-dichlorophenyl)carbamothioate
CID 23273770
3,5-diacetamido-N-(3,4-dichlorophenyl)benzamide
CID 2524728
3-(3-chlorophenyl)-N-(3,4-dichlorophenyl)prop-2-enamide
CID 3527229

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(3,4-dichlorophenyl)but-2-enamide?
The IUPAC name of 3-chloro-N-(3,4-dichlorophenyl)but-2-enamide (CID 54340500) is 3-chloro-N-(3,4-dichlorophenyl)but-2-enamide.
What is the SMILES notation for 3-chloro-N-(3,4-dichlorophenyl)but-2-enamide?
The canonical SMILES for 3-chloro-N-(3,4-dichlorophenyl)but-2-enamide is CC(Cl)=CC(=O)Nc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 3-chloro-N-(3,4-dichlorophenyl)but-2-enamide?
The InChIKey is TYPHGWRHHJCRTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8Cl3NO/c1-6(11)4-10(15)14-7-2-3-8(12)9(13)5-7/h2-5H,1H3,(H,14,15).
What are the key properties of 3-chloro-N-(3,4-dichlorophenyl)but-2-enamide?
3-chloro-N-(3,4-dichlorophenyl)but-2-enamide has a molecular weight of 264.54 g/mol, XLogP of 4.07, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(3,4-dichlorophenyl)but-2-enamide is sourced from PubChem (CID 54340500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).