2-[4-[(E)-2-(4-chlorophenyl)ethenyl]phenoxy]-N-(2-oxo-1H-pyrimidin-6-yl)acetamide

C20H16ClN3O3 — CID 11516475

IUPAC2-[4-[(E)-2-(4-chlorophenyl)ethenyl]phenoxy]-N-(2-oxo-1H-pyrimidin-6-yl)acetamide
SMILESO=C(COc1ccc(/C=C/c2ccc(Cl)cc2)cc1)Nc1ccnc(=O)[nH]1
InChIInChI=1S/C20H16ClN3O3/c21-16-7-3-14(4-8-16)1-2-15-5-9-17(10-6-15)27-13-19(25)23-18-11-12-22-20(26)24-18/h1-12H,13H2,(H2,22,23,24,25,26)/b2-1+
InChIKeyRXQBHSPYNXDBFI-OWOJBTEDSA-N
MW381.82 g/mol
LogP3.61
Rot. Bonds6

About 2-[4-[(E)-2-(4-chlorophenyl)ethenyl]phenoxy]-N-(2-oxo-1H-pyrimidin-6-yl)acetamide

2-[4-[(E)-2-(4-chlorophenyl)ethenyl]phenoxy]-N-(2-oxo-1H-pyrimidin-6-yl)acetamide (PubChem CID 11516475) has the molecular formula C20H16ClN3O3 and a molecular weight of 381.82 g/mol. Its IUPAC name is 2-[4-[(E)-2-(4-chlorophenyl)ethenyl]phenoxy]-N-(2-oxo-1H-pyrimidin-6-yl)acetamide.

Molecular Properties

Compound Name2-[4-[(E)-2-(4-chlorophenyl)ethenyl]phenoxy]-N-(2-oxo-1H-pyrimidin-6-yl)acetamide
PubChem CID11516475
Molecular FormulaC20H16ClN3O3
Molecular Weight381.82 g/mol
Exact Mass381.09
IUPAC Name2-[4-[(E)-2-(4-chlorophenyl)ethenyl]phenoxy]-N-(2-oxo-1H-pyrimidin-6-yl)acetamide
SMILESO=C(COc1ccc(/C=C/c2ccc(Cl)cc2)cc1)Nc1ccnc(=O)[nH]1
InChIInChI=1S/C20H16ClN3O3/c21-16-7-3-14(4-8-16)1-2-15-5-9-17(10-6-15)27-13-19(25)23-18-11-12-22-20(26)24-18/h1-12H,13H2,(H2,22,23,24,25,26)/b2-1+
InChIKeyRXQBHSPYNXDBFI-OWOJBTEDSA-N
XLogP3.61
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.82
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(4-tert-butylphenoxy)-N-(2-oxo-1H-pyrimidin-6-yl)acetamide
CID 178052246
2-(4-chlorophenoxy)-N-hydroxyacetamide
CID 11183280
2-(4-chlorophenoxy)-N-pyridin-4-ylacetamide;hydrochloride
CID 163329233
2-(4-chlorophenoxy)-N-[6-[[2-(4-chlorophenoxy)acetyl]amino]-2-pyridinyl]acetamide
CID 1012475
(E)-3-[4-[2-(3,5-dichloroanilino)-2-oxoethoxy]phenyl]prop-2-enoate
CID 7140043
N-(4-chlorophenyl)-2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenoxy]acetamide
CID 127037567
2-(4-chlorophenoxy)-N-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide
CID 5305539
N-(2-aminoethyl)-2-[4-[(E)-2-pyridin-4-ylethenyl]phenoxy]acetamide
CID 39163292
N-(2-tert-butyl-4-pyridinyl)-2-(4-chlorophenoxy)acetamide
CID 110442677
(E)-N-[[[2-(4-chlorophenoxy)acetyl]amino]carbamothioyl]-3-(4-ethoxyphenyl)prop-2-enamide
CID 17227638
[2-[2-[2-(4-chlorophenoxy)acetyl]hydrazinyl]-2-oxoethyl] (E)-3-(4-methylphenyl)prop-2-enoate
CID 7187358
2-(4-chlorophenoxy)-N-(3-formylphenyl)acetamide
CID 106912648

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(E)-2-(4-chlorophenyl)ethenyl]phenoxy]-N-(2-oxo-1H-pyrimidin-6-yl)acetamide?
The IUPAC name of 2-[4-[(E)-2-(4-chlorophenyl)ethenyl]phenoxy]-N-(2-oxo-1H-pyrimidin-6-yl)acetamide (CID 11516475) is 2-[4-[(E)-2-(4-chlorophenyl)ethenyl]phenoxy]-N-(2-oxo-1H-pyrimidin-6-yl)acetamide.
What is the SMILES notation for 2-[4-[(E)-2-(4-chlorophenyl)ethenyl]phenoxy]-N-(2-oxo-1H-pyrimidin-6-yl)acetamide?
The canonical SMILES for 2-[4-[(E)-2-(4-chlorophenyl)ethenyl]phenoxy]-N-(2-oxo-1H-pyrimidin-6-yl)acetamide is O=C(COc1ccc(/C=C/c2ccc(Cl)cc2)cc1)Nc1ccnc(=O)[nH]1.
What is the InChIKey of 2-[4-[(E)-2-(4-chlorophenyl)ethenyl]phenoxy]-N-(2-oxo-1H-pyrimidin-6-yl)acetamide?
The InChIKey is RXQBHSPYNXDBFI-OWOJBTEDSA-N. The full InChI is InChI=1S/C20H16ClN3O3/c21-16-7-3-14(4-8-16)1-2-15-5-9-17(10-6-15)27-13-19(25)23-18-11-12-22-20(26)24-18/h1-12H,13H2,(H2,22,23,24,25,26)/b2-1+.
What are the key properties of 2-[4-[(E)-2-(4-chlorophenyl)ethenyl]phenoxy]-N-(2-oxo-1H-pyrimidin-6-yl)acetamide?
2-[4-[(E)-2-(4-chlorophenyl)ethenyl]phenoxy]-N-(2-oxo-1H-pyrimidin-6-yl)acetamide has a molecular weight of 381.82 g/mol, XLogP of 3.61, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(E)-2-(4-chlorophenyl)ethenyl]phenoxy]-N-(2-oxo-1H-pyrimidin-6-yl)acetamide is sourced from PubChem (CID 11516475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).