6-bromo-2-oxo-N-[1-(oxolan-2-yl)ethyl]chromene-3-carboxamide

C16H16BrNO4 — CID 6464465

IUPAC6-bromo-2-oxo-N-[1-(oxolan-2-yl)ethyl]chromene-3-carboxamide
SMILESCC(NC(=O)c1cc2cc(Br)ccc2oc1=O)C1CCCO1
InChIInChI=1S/C16H16BrNO4/c1-9(13-3-2-6-21-13)18-15(19)12-8-10-7-11(17)4-5-14(10)22-16(12)20/h4-5,7-9,13H,2-3,6H2,1H3,(H,18,19)
InChIKeyDGWGGUFFIOUBAC-UHFFFAOYSA-N
MW366.21 g/mol
LogP2.85
Rot. Bonds3

About 6-bromo-2-oxo-N-[1-(oxolan-2-yl)ethyl]chromene-3-carboxamide

6-bromo-2-oxo-N-[1-(oxolan-2-yl)ethyl]chromene-3-carboxamide (PubChem CID 6464465) has the molecular formula C16H16BrNO4 and a molecular weight of 366.21 g/mol. Its IUPAC name is 6-bromo-2-oxo-N-[1-(oxolan-2-yl)ethyl]chromene-3-carboxamide.

Molecular Properties

Compound Name6-bromo-2-oxo-N-[1-(oxolan-2-yl)ethyl]chromene-3-carboxamide
PubChem CID6464465
Molecular FormulaC16H16BrNO4
Molecular Weight366.21 g/mol
Exact Mass365.03
IUPAC Name6-bromo-2-oxo-N-[1-(oxolan-2-yl)ethyl]chromene-3-carboxamide
SMILESCC(NC(=O)c1cc2cc(Br)ccc2oc1=O)C1CCCO1
InChIInChI=1S/C16H16BrNO4/c1-9(13-3-2-6-21-13)18-15(19)12-8-10-7-11(17)4-5-14(10)22-16(12)20/h4-5,7-9,13H,2-3,6H2,1H3,(H,18,19)
InChIKeyDGWGGUFFIOUBAC-UHFFFAOYSA-N
XLogP2.85
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.21
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-bromo-N-cycloheptyl-2-oxochromene-3-carboxamide
CID 1246809
5-bromo-2-[1-(oxolan-2-yl)ethylcarbamoylamino]benzoic acid
CID 62074010
6-bromo-2-oxo-N-[(2R)-4-phenylbutan-2-yl]chromene-3-carboxamide
CID 2090696
6-bromo-N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]-2-pyridin-4-ylquinoline-4-carboxamide
CID 1261532
5-amino-2-chloro-N-[1-(oxolan-2-yl)ethyl]benzamide
CID 43533754
3,5-dimethyl-N-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]benzamide
CID 27233431
N'-(6-bromo-2-oxochromene-3-carbonyl)pyridine-4-carbohydrazide
CID 1039196
6-bromo-N-(4-bromophenyl)-2-oxochromene-3-carboxamide
CID 1111853
6-bromo-N-[1-(oxolan-2-yl)ethyl]-2-pyridin-3-ylquinoline-4-carboxamide
CID 2965680
6-bromo-N'-[(2R)-2-(4-bromophenoxy)propanoyl]-2-oxochromene-3-carbohydrazide
CID 1253490
5-N-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]-2-N-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]thiophene-2,5-dicarboxamide
CID 98786018
5-(4-bromophenyl)-N-[1-(oxolan-2-yl)ethyl]thiophene-2-carboxamide
CID 46441580

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-oxo-N-[1-(oxolan-2-yl)ethyl]chromene-3-carboxamide?
The IUPAC name of 6-bromo-2-oxo-N-[1-(oxolan-2-yl)ethyl]chromene-3-carboxamide (CID 6464465) is 6-bromo-2-oxo-N-[1-(oxolan-2-yl)ethyl]chromene-3-carboxamide.
What is the SMILES notation for 6-bromo-2-oxo-N-[1-(oxolan-2-yl)ethyl]chromene-3-carboxamide?
The canonical SMILES for 6-bromo-2-oxo-N-[1-(oxolan-2-yl)ethyl]chromene-3-carboxamide is CC(NC(=O)c1cc2cc(Br)ccc2oc1=O)C1CCCO1.
What is the InChIKey of 6-bromo-2-oxo-N-[1-(oxolan-2-yl)ethyl]chromene-3-carboxamide?
The InChIKey is DGWGGUFFIOUBAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrNO4/c1-9(13-3-2-6-21-13)18-15(19)12-8-10-7-11(17)4-5-14(10)22-16(12)20/h4-5,7-9,13H,2-3,6H2,1H3,(H,18,19).
What are the key properties of 6-bromo-2-oxo-N-[1-(oxolan-2-yl)ethyl]chromene-3-carboxamide?
6-bromo-2-oxo-N-[1-(oxolan-2-yl)ethyl]chromene-3-carboxamide has a molecular weight of 366.21 g/mol, XLogP of 2.85, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-oxo-N-[1-(oxolan-2-yl)ethyl]chromene-3-carboxamide is sourced from PubChem (CID 6464465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).