N-[4-(2,3,5-trichlorophenyl)but-3-enyl]acetamide

C12H12Cl3NO — CID 170488463

IUPACN-[4-(2,3,5-trichlorophenyl)but-3-enyl]acetamide
SMILESCC(=O)NCCC=Cc1cc(Cl)cc(Cl)c1Cl
InChIInChI=1S/C12H12Cl3NO/c1-8(17)16-5-3-2-4-9-6-10(13)7-11(14)12(9)15/h2,4,6-7H,3,5H2,1H3,(H,16,17)
InChIKeyUUMZHJBFTYNNFJ-UHFFFAOYSA-N
MW292.59 g/mol
LogP4.19
Rot. Bonds4

About N-[4-(2,3,5-trichlorophenyl)but-3-enyl]acetamide

N-[4-(2,3,5-trichlorophenyl)but-3-enyl]acetamide (PubChem CID 170488463) has the molecular formula C12H12Cl3NO and a molecular weight of 292.59 g/mol. Its IUPAC name is N-[4-(2,3,5-trichlorophenyl)but-3-enyl]acetamide.

Molecular Properties

Compound NameN-[4-(2,3,5-trichlorophenyl)but-3-enyl]acetamide
PubChem CID170488463
Molecular FormulaC12H12Cl3NO
Molecular Weight292.59 g/mol
Exact Mass291.00
IUPAC NameN-[4-(2,3,5-trichlorophenyl)but-3-enyl]acetamide
SMILESCC(=O)NCCC=Cc1cc(Cl)cc(Cl)c1Cl
InChIInChI=1S/C12H12Cl3NO/c1-8(17)16-5-3-2-4-9-6-10(13)7-11(14)12(9)15/h2,4,6-7H,3,5H2,1H3,(H,16,17)
InChIKeyUUMZHJBFTYNNFJ-UHFFFAOYSA-N
XLogP4.19
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.59
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

N-[(2,6-dichlorophenyl)methyl]acetamide
CID 602663
N-[3-(3-chlorophenyl)propyl]acetamide
CID 10774874
N-[2-(3-chlorophenyl)ethyl]acetamide
CID 4430301
N-[2-(2-chlorophenyl)ethyl]acetamide
CID 10397817
3,4-Dichlorophenyl propenylisobutylamide
CID 5736735
2-cyano-3-(2,3-dichlorophenyl)-N-(propan-2-yl)prop-2-enamide
CID 2713925
N-Butyl-3-(2,4-dichlorophenyl)acrylamide
CID 6002621
3-(3,4-dichlorophenyl)-N-propylprop-2-enamide
CID 6033854
(2E)-3-(2,4-dichlorophenyl)-N-propylprop-2-enamide
CID 6293635
(E)-N-butyl-3-(2,3-dichlorophenyl)prop-2-enamide
CID 127030403
(2E)-3-(3,4-dichlorophenyl)-N-(prop-2-en-1-yl)prop-2-enamide
CID 2064077
3-(3,4-dichlorophenyl)-N-ethylprop-2-enamide
CID 2460790

Frequently Asked Questions

What is the IUPAC name of N-[4-(2,3,5-trichlorophenyl)but-3-enyl]acetamide?
The IUPAC name of N-[4-(2,3,5-trichlorophenyl)but-3-enyl]acetamide (CID 170488463) is N-[4-(2,3,5-trichlorophenyl)but-3-enyl]acetamide.
What is the SMILES notation for N-[4-(2,3,5-trichlorophenyl)but-3-enyl]acetamide?
The canonical SMILES for N-[4-(2,3,5-trichlorophenyl)but-3-enyl]acetamide is CC(=O)NCCC=Cc1cc(Cl)cc(Cl)c1Cl.
What is the InChIKey of N-[4-(2,3,5-trichlorophenyl)but-3-enyl]acetamide?
The InChIKey is UUMZHJBFTYNNFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12Cl3NO/c1-8(17)16-5-3-2-4-9-6-10(13)7-11(14)12(9)15/h2,4,6-7H,3,5H2,1H3,(H,16,17).
What are the key properties of N-[4-(2,3,5-trichlorophenyl)but-3-enyl]acetamide?
N-[4-(2,3,5-trichlorophenyl)but-3-enyl]acetamide has a molecular weight of 292.59 g/mol, XLogP of 4.19, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,3,5-trichlorophenyl)but-3-enyl]acetamide is sourced from PubChem (CID 170488463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).