2,2,2-trichloro-N-[(Z)-4-methyl-3-oxo-1-phenylpent-1-enyl]acetamide

C14H14Cl3NO2 — CID 11844683

IUPAC2,2,2-trichloro-N-[(Z)-4-methyl-3-oxo-1-phenylpent-1-enyl]acetamide
SMILESCC(C)C(=O)/C=C(\NC(=O)C(Cl)(Cl)Cl)c1ccccc1
InChIInChI=1S/C14H14Cl3NO2/c1-9(2)12(19)8-11(10-6-4-3-5-7-10)18-13(20)14(15,16)17/h3-9H,1-2H3,(H,18,20)/b11-8-
InChIKeyFUEGMHNEPVYNET-FLIBITNWSA-N
MW334.63 g/mol
LogP3.74
Rot. Bonds4

About 2,2,2-trichloro-N-[(Z)-4-methyl-3-oxo-1-phenylpent-1-enyl]acetamide

2,2,2-trichloro-N-[(Z)-4-methyl-3-oxo-1-phenylpent-1-enyl]acetamide (PubChem CID 11844683) has the molecular formula C14H14Cl3NO2 and a molecular weight of 334.63 g/mol. Its IUPAC name is 2,2,2-trichloro-N-[(Z)-4-methyl-3-oxo-1-phenylpent-1-enyl]acetamide.

Molecular Properties

Compound Name2,2,2-trichloro-N-[(Z)-4-methyl-3-oxo-1-phenylpent-1-enyl]acetamide
PubChem CID11844683
Molecular FormulaC14H14Cl3NO2
Molecular Weight334.63 g/mol
Exact Mass333.01
IUPAC Name2,2,2-trichloro-N-[(Z)-4-methyl-3-oxo-1-phenylpent-1-enyl]acetamide
SMILESCC(C)C(=O)/C=C(\NC(=O)C(Cl)(Cl)Cl)c1ccccc1
InChIInChI=1S/C14H14Cl3NO2/c1-9(2)12(19)8-11(10-6-4-3-5-7-10)18-13(20)14(15,16)17/h3-9H,1-2H3,(H,18,20)/b11-8-
InChIKeyFUEGMHNEPVYNET-FLIBITNWSA-N
XLogP3.74
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.63
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(Z)-3-(methylamino)-3-phenylprop-2-enoic acid
CID 69082862
2,2,3,3,4,4,4-heptafluoro-N-(3-oxo-1,3-diphenylprop-1-enyl)butanamide
CID 628724
2,2,2-trichloro-N-[(Z)-3-oxo-2-phenylbut-1-enyl]acetamide
CID 11844676
methyl 4-methyl-3-phenylpent-2-enoate
CID 85106865
[(3-acetamido-3-phenylprop-2-enoyl)amino] acetate
CID 57239356
(Z)-1,4-dichloro-1-phenylpent-1-en-3-one
CID 135077289
(E)-3-phenyl-N-[(1R)-1-phenylethyl]-3-[[(1S)-1-phenylethyl]amino]prop-2-enamide
CID 51411566
N-benzhydryl-2,2,2-trichloroacetamide
CID 3685786
(2S)-3-methyl-2-[[(Z)-3-oxo-1,3-diphenylprop-1-enyl]amino]butanoic acid
CID 102299586
benzoic acid;chromium
CID 139063467
Lithium benzoate, 99%
CID 57451198
(Z)-1,1,1-trichloro-4-methylselanyl-4-phenylbut-3-en-2-one
CID 101207023

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trichloro-N-[(Z)-4-methyl-3-oxo-1-phenylpent-1-enyl]acetamide?
The IUPAC name of 2,2,2-trichloro-N-[(Z)-4-methyl-3-oxo-1-phenylpent-1-enyl]acetamide (CID 11844683) is 2,2,2-trichloro-N-[(Z)-4-methyl-3-oxo-1-phenylpent-1-enyl]acetamide.
What is the SMILES notation for 2,2,2-trichloro-N-[(Z)-4-methyl-3-oxo-1-phenylpent-1-enyl]acetamide?
The canonical SMILES for 2,2,2-trichloro-N-[(Z)-4-methyl-3-oxo-1-phenylpent-1-enyl]acetamide is CC(C)C(=O)/C=C(\NC(=O)C(Cl)(Cl)Cl)c1ccccc1.
What is the InChIKey of 2,2,2-trichloro-N-[(Z)-4-methyl-3-oxo-1-phenylpent-1-enyl]acetamide?
The InChIKey is FUEGMHNEPVYNET-FLIBITNWSA-N. The full InChI is InChI=1S/C14H14Cl3NO2/c1-9(2)12(19)8-11(10-6-4-3-5-7-10)18-13(20)14(15,16)17/h3-9H,1-2H3,(H,18,20)/b11-8-.
What are the key properties of 2,2,2-trichloro-N-[(Z)-4-methyl-3-oxo-1-phenylpent-1-enyl]acetamide?
2,2,2-trichloro-N-[(Z)-4-methyl-3-oxo-1-phenylpent-1-enyl]acetamide has a molecular weight of 334.63 g/mol, XLogP of 3.74, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trichloro-N-[(Z)-4-methyl-3-oxo-1-phenylpent-1-enyl]acetamide is sourced from PubChem (CID 11844683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).