(Z,2R)-2-acetyl-5-chloro-N-(2-methoxyphenyl)hex-4-enamide

C15H18ClNO3 — CID 827763

IUPAC(Z,2R)-2-acetyl-5-chloro-N-(2-methoxyphenyl)hex-4-enamide
SMILESCOc1ccccc1NC(=O)[C@H](C/C=C(/C)Cl)C(C)=O
InChIInChI=1S/C15H18ClNO3/c1-10(16)8-9-12(11(2)18)15(19)17-13-6-4-5-7-14(13)20-3/h4-8,12H,9H2,1-3H3,(H,17,19)/b10-8-/t12-/m1/s1
InChIKeyWDIXOPYDGDLPDY-VPUINMBXSA-N
MW295.77 g/mol
LogP3.37
Rot. Bonds6

About (Z,2R)-2-acetyl-5-chloro-N-(2-methoxyphenyl)hex-4-enamide

(Z,2R)-2-acetyl-5-chloro-N-(2-methoxyphenyl)hex-4-enamide (PubChem CID 827763) has the molecular formula C15H18ClNO3 and a molecular weight of 295.77 g/mol. Its IUPAC name is (Z,2R)-2-acetyl-5-chloro-N-(2-methoxyphenyl)hex-4-enamide.

Molecular Properties

Compound Name(Z,2R)-2-acetyl-5-chloro-N-(2-methoxyphenyl)hex-4-enamide
PubChem CID827763
Molecular FormulaC15H18ClNO3
Molecular Weight295.77 g/mol
Exact Mass295.10
IUPAC Name(Z,2R)-2-acetyl-5-chloro-N-(2-methoxyphenyl)hex-4-enamide
SMILESCOc1ccccc1NC(=O)[C@H](C/C=C(/C)Cl)C(C)=O
InChIInChI=1S/C15H18ClNO3/c1-10(16)8-9-12(11(2)18)15(19)17-13-6-4-5-7-14(13)20-3/h4-8,12H,9H2,1-3H3,(H,17,19)/b10-8-/t12-/m1/s1
InChIKeyWDIXOPYDGDLPDY-VPUINMBXSA-N
XLogP3.37
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.77
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-ethyl-N-(2-methoxyphenyl)-3-oxobutanamide
CID 868013
(2R)-2-chloro-N-(2-methoxyphenyl)propanamide
CID 2490730
[2,4,5-triacetyloxy-1,6-bis(2-methoxyanilino)-1,6-dioxohexan-3-yl] acetate
CID 4863606
(2R)-2-bromo-N-(2-methoxyphenyl)propanamide
CID 737002
N-(2-methoxyphenyl)-2-propylpentanamide
CID 2995533
(2S)-2-bromo-N-(2-methoxyphenyl)butanamide
CID 40932699
1-(2-chloroprop-2-enyl)-3-(2-methoxyphenyl)urea
CID 115640180
1-(3-amino-2-methylpropyl)-3-(2-methoxyphenyl)urea
CID 55102521
1-(2-methoxyphenyl)-3-propan-2-ylurea
CID 19167870
(Z)-4-(2-methoxyanilino)pent-3-en-2-one
CID 102222000
N-(2-methoxyphenyl)-3-methylbut-2-enamide
CID 19177446
N,3-bis(2-methoxyphenyl)propanamide
CID 17394407

Frequently Asked Questions

What is the IUPAC name of (Z,2R)-2-acetyl-5-chloro-N-(2-methoxyphenyl)hex-4-enamide?
The IUPAC name of (Z,2R)-2-acetyl-5-chloro-N-(2-methoxyphenyl)hex-4-enamide (CID 827763) is (Z,2R)-2-acetyl-5-chloro-N-(2-methoxyphenyl)hex-4-enamide.
What is the SMILES notation for (Z,2R)-2-acetyl-5-chloro-N-(2-methoxyphenyl)hex-4-enamide?
The canonical SMILES for (Z,2R)-2-acetyl-5-chloro-N-(2-methoxyphenyl)hex-4-enamide is COc1ccccc1NC(=O)[C@H](C/C=C(/C)Cl)C(C)=O.
What is the InChIKey of (Z,2R)-2-acetyl-5-chloro-N-(2-methoxyphenyl)hex-4-enamide?
The InChIKey is WDIXOPYDGDLPDY-VPUINMBXSA-N. The full InChI is InChI=1S/C15H18ClNO3/c1-10(16)8-9-12(11(2)18)15(19)17-13-6-4-5-7-14(13)20-3/h4-8,12H,9H2,1-3H3,(H,17,19)/b10-8-/t12-/m1/s1.
What are the key properties of (Z,2R)-2-acetyl-5-chloro-N-(2-methoxyphenyl)hex-4-enamide?
(Z,2R)-2-acetyl-5-chloro-N-(2-methoxyphenyl)hex-4-enamide has a molecular weight of 295.77 g/mol, XLogP of 3.37, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,2R)-2-acetyl-5-chloro-N-(2-methoxyphenyl)hex-4-enamide is sourced from PubChem (CID 827763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).