3-(3,4-dichlorophenyl)-N-(2,3,4,5,6-pentafluorophenyl)prop-2-enamide

C15H6Cl2F5NO — CID 2932282

IUPAC3-(3,4-dichlorophenyl)-N-(2,3,4,5,6-pentafluorophenyl)prop-2-enamide
SMILESO=C(C=Cc1ccc(Cl)c(Cl)c1)Nc1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C15H6Cl2F5NO/c16-7-3-1-6(5-8(7)17)2-4-9(24)23-15-13(21)11(19)10(18)12(20)14(15)22/h1-5H,(H,23,24)
InChIKeyFPUOLHVGNVOHHI-UHFFFAOYSA-N
MW382.12 g/mol
LogP5.34
Rot. Bonds3

About 3-(3,4-dichlorophenyl)-N-(2,3,4,5,6-pentafluorophenyl)prop-2-enamide

3-(3,4-dichlorophenyl)-N-(2,3,4,5,6-pentafluorophenyl)prop-2-enamide (PubChem CID 2932282) has the molecular formula C15H6Cl2F5NO and a molecular weight of 382.12 g/mol. Its IUPAC name is 3-(3,4-dichlorophenyl)-N-(2,3,4,5,6-pentafluorophenyl)prop-2-enamide.

Molecular Properties

Compound Name3-(3,4-dichlorophenyl)-N-(2,3,4,5,6-pentafluorophenyl)prop-2-enamide
PubChem CID2932282
Molecular FormulaC15H6Cl2F5NO
Molecular Weight382.12 g/mol
Exact Mass380.97
IUPAC Name3-(3,4-dichlorophenyl)-N-(2,3,4,5,6-pentafluorophenyl)prop-2-enamide
SMILESO=C(C=Cc1ccc(Cl)c(Cl)c1)Nc1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C15H6Cl2F5NO/c16-7-3-1-6(5-8(7)17)2-4-9(24)23-15-13(21)11(19)10(18)12(20)14(15)22/h1-5H,(H,23,24)
InChIKeyFPUOLHVGNVOHHI-UHFFFAOYSA-N
XLogP5.34
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.12
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

3-(3,4-dichlorophenyl)-N-[3-[3-(3,4-dichlorophenyl)prop-2-enoylamino]phenyl]prop-2-enamide
CID 4675079
3-(3,4-dichlorophenyl)-N-pyridin-4-ylprop-2-enamide
CID 3485585
(E)-3-(1,3-benzodioxol-5-yl)-N-(2,3,4,5,6-pentafluorophenyl)prop-2-enamide
CID 2268652
N-(5-acetamido-2-chlorophenyl)-3-(3,4-dichlorophenyl)prop-2-enamide
CID 75842434
3-(3,4-dichlorophenyl)-N-(2-ethyl-6-methylphenyl)prop-2-enamide
CID 3605032
3-(3,4-dichlorophenyl)-N-(4,6-dimethylpyridin-1-ium-2-yl)prop-2-enamide
CID 4746135
N-(2-chloro-3-pyridinyl)-3-(3,4-dichlorophenyl)prop-2-enamide
CID 4676638
(E)-N-(2-chloro-3-pyridinyl)-3-(3,4-dichlorophenyl)prop-2-enamide
CID 6183154
3-(3,4-dichlorophenyl)-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]prop-2-enamide
CID 4609730
3-(3,4-dichlorophenyl)-N-prop-2-enylprop-2-enamide
CID 2933752
2-[[(E)-3-(3,4-dichlorophenyl)prop-2-enoyl]amino]thiophene-3-carboxylic acid
CID 43171494
3-(3,4-dichlorophenyl)-N-(4-methyl-3-pyridinyl)prop-2-enamide
CID 72687476

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dichlorophenyl)-N-(2,3,4,5,6-pentafluorophenyl)prop-2-enamide?
The IUPAC name of 3-(3,4-dichlorophenyl)-N-(2,3,4,5,6-pentafluorophenyl)prop-2-enamide (CID 2932282) is 3-(3,4-dichlorophenyl)-N-(2,3,4,5,6-pentafluorophenyl)prop-2-enamide.
What is the SMILES notation for 3-(3,4-dichlorophenyl)-N-(2,3,4,5,6-pentafluorophenyl)prop-2-enamide?
The canonical SMILES for 3-(3,4-dichlorophenyl)-N-(2,3,4,5,6-pentafluorophenyl)prop-2-enamide is O=C(C=Cc1ccc(Cl)c(Cl)c1)Nc1c(F)c(F)c(F)c(F)c1F.
What is the InChIKey of 3-(3,4-dichlorophenyl)-N-(2,3,4,5,6-pentafluorophenyl)prop-2-enamide?
The InChIKey is FPUOLHVGNVOHHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H6Cl2F5NO/c16-7-3-1-6(5-8(7)17)2-4-9(24)23-15-13(21)11(19)10(18)12(20)14(15)22/h1-5H,(H,23,24).
What are the key properties of 3-(3,4-dichlorophenyl)-N-(2,3,4,5,6-pentafluorophenyl)prop-2-enamide?
3-(3,4-dichlorophenyl)-N-(2,3,4,5,6-pentafluorophenyl)prop-2-enamide has a molecular weight of 382.12 g/mol, XLogP of 5.34, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dichlorophenyl)-N-(2,3,4,5,6-pentafluorophenyl)prop-2-enamide is sourced from PubChem (CID 2932282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).