N-[2-(1-acetylcyclopropyl)-2-oxoethyl]benzamide;tungsten

C14H14NO3W- — CID 58176248

IUPACN-[2-(1-acetylcyclopropyl)-2-oxoethyl]benzamide;tungsten
SMILES[CH2-]C(=O)C1(C(=O)CNC(=O)c2ccccc2)CC1.[W]
InChIInChI=1S/C14H14NO3.W/c1-10(16)14(7-8-14)12(17)9-15-13(18)11-5-3-2-4-6-11;/h2-6H,1,7-9H2,(H,15,18);/q-1;
InChIKeyQMXVGVGQXBNVCF-UHFFFAOYSA-N
MW428.11 g/mol
LogP1.17
Rot. Bonds5

About N-[2-(1-acetylcyclopropyl)-2-oxoethyl]benzamide;tungsten

N-[2-(1-acetylcyclopropyl)-2-oxoethyl]benzamide;tungsten (PubChem CID 58176248) has the molecular formula C14H14NO3W- and a molecular weight of 428.11 g/mol. Its IUPAC name is N-[2-(1-acetylcyclopropyl)-2-oxoethyl]benzamide;tungsten.

Molecular Properties

Compound NameN-[2-(1-acetylcyclopropyl)-2-oxoethyl]benzamide;tungsten
PubChem CID58176248
Molecular FormulaC14H14NO3W-
Molecular Weight428.11 g/mol
Exact Mass428.05
IUPAC NameN-[2-(1-acetylcyclopropyl)-2-oxoethyl]benzamide;tungsten
SMILES[CH2-]C(=O)C1(C(=O)CNC(=O)c2ccccc2)CC1.[W]
InChIInChI=1S/C14H14NO3.W/c1-10(16)14(7-8-14)12(17)9-15-13(18)11-5-3-2-4-6-11;/h2-6H,1,7-9H2,(H,15,18);/q-1;
InChIKeyQMXVGVGQXBNVCF-UHFFFAOYSA-N
XLogP1.17
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.11
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(2-acetyl-1,3-dihydroinden-2-yl)-2-oxoethyl]naphthalene-2-carboxamide;tungsten
CID 58176202
2-benzamidoacetic acid;hydrofluoride
CID 174760685
1-(2-benzamidoethylcarbamoyl)cyclopropane-1-carboxylic acid
CID 99699840
1-[(2-benzamidoacetyl)amino]cyclopropane-1-carboxylic acid
CID 65450960
N-[2-[(1-hydroxycyclobutyl)methylamino]-2-oxoethyl]benzamide
CID 111539734
bis(2-aminoacetic acid);2-benzamidoacetic acid
CID 175296236
N-[2-oxo-2-[(1-phenylcyclobutyl)amino]ethyl]benzamide
CID 134056216
N-[2-(4-benzoylpiperazin-1-yl)-2-oxoethyl]benzamide
CID 2560876
N-[2-oxo-2-[(1-phenylcyclobutyl)methylamino]ethyl]benzamide
CID 46691539
N-ethylbenzamide
CID 160772566
N-[(1-propylcyclopropyl)methyl]benzamide
CID 103762150
2-[(2-benzamidoacetyl)amino]-2-phenylacetic acid
CID 132917045

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-acetylcyclopropyl)-2-oxoethyl]benzamide;tungsten?
The IUPAC name of N-[2-(1-acetylcyclopropyl)-2-oxoethyl]benzamide;tungsten (CID 58176248) is N-[2-(1-acetylcyclopropyl)-2-oxoethyl]benzamide;tungsten.
What is the SMILES notation for N-[2-(1-acetylcyclopropyl)-2-oxoethyl]benzamide;tungsten?
The canonical SMILES for N-[2-(1-acetylcyclopropyl)-2-oxoethyl]benzamide;tungsten is [CH2-]C(=O)C1(C(=O)CNC(=O)c2ccccc2)CC1.[W].
What is the InChIKey of N-[2-(1-acetylcyclopropyl)-2-oxoethyl]benzamide;tungsten?
The InChIKey is QMXVGVGQXBNVCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14NO3.W/c1-10(16)14(7-8-14)12(17)9-15-13(18)11-5-3-2-4-6-11;/h2-6H,1,7-9H2,(H,15,18);/q-1;.
What are the key properties of N-[2-(1-acetylcyclopropyl)-2-oxoethyl]benzamide;tungsten?
N-[2-(1-acetylcyclopropyl)-2-oxoethyl]benzamide;tungsten has a molecular weight of 428.11 g/mol, XLogP of 1.17, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-acetylcyclopropyl)-2-oxoethyl]benzamide;tungsten is sourced from PubChem (CID 58176248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).