6,8-dichloro-N-(2-hydroxyethyl)-2-oxochromene-3-carboxamide

C12H9Cl2NO4 — CID 2294455

IUPAC6,8-dichloro-N-(2-hydroxyethyl)-2-oxochromene-3-carboxamide
SMILESO=C(NCCO)c1cc2cc(Cl)cc(Cl)c2oc1=O
InChIInChI=1S/C12H9Cl2NO4/c13-7-3-6-4-8(11(17)15-1-2-16)12(18)19-10(6)9(14)5-7/h3-5,16H,1-2H2,(H,15,17)
InChIKeyCGGZJNHYYSTIDZ-UHFFFAOYSA-N
MW302.11 g/mol
LogP1.82
Rot. Bonds3

About 6,8-dichloro-N-(2-hydroxyethyl)-2-oxochromene-3-carboxamide

6,8-dichloro-N-(2-hydroxyethyl)-2-oxochromene-3-carboxamide (PubChem CID 2294455) has the molecular formula C12H9Cl2NO4 and a molecular weight of 302.11 g/mol. Its IUPAC name is 6,8-dichloro-N-(2-hydroxyethyl)-2-oxochromene-3-carboxamide.

Molecular Properties

Compound Name6,8-dichloro-N-(2-hydroxyethyl)-2-oxochromene-3-carboxamide
PubChem CID2294455
Molecular FormulaC12H9Cl2NO4
Molecular Weight302.11 g/mol
Exact Mass300.99
IUPAC Name6,8-dichloro-N-(2-hydroxyethyl)-2-oxochromene-3-carboxamide
SMILESO=C(NCCO)c1cc2cc(Cl)cc(Cl)c2oc1=O
InChIInChI=1S/C12H9Cl2NO4/c13-7-3-6-4-8(11(17)15-1-2-16)12(18)19-10(6)9(14)5-7/h3-5,16H,1-2H2,(H,15,17)
InChIKeyCGGZJNHYYSTIDZ-UHFFFAOYSA-N
XLogP1.82
TPSA79.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.11
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-Chloro-3-(morpholin-4-ylcarbonyl)chromen-2-one
CID 976955
(6,8-dichloro-2-oxochromen-3-yl)-N-(2-methoxyethyl)carboxamide
CID 2909035
6,8-Dichloro-3-(morpholine-4-carbonyl)-chromen-2-one
CID 649652
6,8-Dichloro-3-(2,6-dimethyl-morpholine-4-carbonyl)-chromen-2-one
CID 653775
6,8-dichloro-N-[2-(4-morpholinyl)ethyl]-2-oxo-2H-chromene-3-carboxamide
CID 1143463
6-chloro-N-(2,3-dihydroxypropyl)-2-oxochromene-3-carboxamide
CID 25147140
6,8-dichloro-N-[2-(dimethylamino)ethyl]-2-oxochromene-3-carboxamide
CID 127042487
Butyl (6,8-dichloro-2-oxo-2H-chromen-3-yl)carbonylcarbamate
CID 357387
6,8-Dichloro-3-(piperidylcarbonyl)chromen-2-one
CID 849949
Methyl 2-[(6-chloro-2-oxochromen-3-yl)carbonylamino]acetate
CID 1245881
6,8-dichloro-N-[2-(cyclohex-1-en-1-yl)ethyl]-2-oxo-2H-chromene-3-carboxamide
CID 4072346
6-chloro-N-cyclopropyl-2-oxo-2H-chromene-3-carboxamide
CID 6462691

Frequently Asked Questions

What is the IUPAC name of 6,8-dichloro-N-(2-hydroxyethyl)-2-oxochromene-3-carboxamide?
The IUPAC name of 6,8-dichloro-N-(2-hydroxyethyl)-2-oxochromene-3-carboxamide (CID 2294455) is 6,8-dichloro-N-(2-hydroxyethyl)-2-oxochromene-3-carboxamide.
What is the SMILES notation for 6,8-dichloro-N-(2-hydroxyethyl)-2-oxochromene-3-carboxamide?
The canonical SMILES for 6,8-dichloro-N-(2-hydroxyethyl)-2-oxochromene-3-carboxamide is O=C(NCCO)c1cc2cc(Cl)cc(Cl)c2oc1=O.
What is the InChIKey of 6,8-dichloro-N-(2-hydroxyethyl)-2-oxochromene-3-carboxamide?
The InChIKey is CGGZJNHYYSTIDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Cl2NO4/c13-7-3-6-4-8(11(17)15-1-2-16)12(18)19-10(6)9(14)5-7/h3-5,16H,1-2H2,(H,15,17).
What are the key properties of 6,8-dichloro-N-(2-hydroxyethyl)-2-oxochromene-3-carboxamide?
6,8-dichloro-N-(2-hydroxyethyl)-2-oxochromene-3-carboxamide has a molecular weight of 302.11 g/mol, XLogP of 1.82, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-dichloro-N-(2-hydroxyethyl)-2-oxochromene-3-carboxamide is sourced from PubChem (CID 2294455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).