6-bromo-N-[(4-fluorophenyl)methyl]-2-oxochromene-3-carboxamide

C17H11BrFNO3 — CID 2484379

IUPAC6-bromo-N-[(4-fluorophenyl)methyl]-2-oxochromene-3-carboxamide
SMILESO=C(NCc1ccc(F)cc1)c1cc2cc(Br)ccc2oc1=O
InChIInChI=1S/C17H11BrFNO3/c18-12-3-6-15-11(7-12)8-14(17(22)23-15)16(21)20-9-10-1-4-13(19)5-2-10/h1-8H,9H2,(H,20,21)
InChIKeyQULVZSSPJQNFOC-UHFFFAOYSA-N
MW376.18 g/mol
LogP3.62
Rot. Bonds3

About 6-bromo-N-[(4-fluorophenyl)methyl]-2-oxochromene-3-carboxamide

6-bromo-N-[(4-fluorophenyl)methyl]-2-oxochromene-3-carboxamide (PubChem CID 2484379) has the molecular formula C17H11BrFNO3 and a molecular weight of 376.18 g/mol. Its IUPAC name is 6-bromo-N-[(4-fluorophenyl)methyl]-2-oxochromene-3-carboxamide.

Molecular Properties

Compound Name6-bromo-N-[(4-fluorophenyl)methyl]-2-oxochromene-3-carboxamide
PubChem CID2484379
Molecular FormulaC17H11BrFNO3
Molecular Weight376.18 g/mol
Exact Mass374.99
IUPAC Name6-bromo-N-[(4-fluorophenyl)methyl]-2-oxochromene-3-carboxamide
SMILESO=C(NCc1ccc(F)cc1)c1cc2cc(Br)ccc2oc1=O
InChIInChI=1S/C17H11BrFNO3/c18-12-3-6-15-11(7-12)8-14(17(22)23-15)16(21)20-9-10-1-4-13(19)5-2-10/h1-8H,9H2,(H,20,21)
InChIKeyQULVZSSPJQNFOC-UHFFFAOYSA-N
XLogP3.62
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.18
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-bromo-N-[2-[[4-[(4-fluorobenzoyl)amino]benzoyl]amino]ethyl]-2-oxochromene-3-carboxamide
CID 121062024
N-ethyl-6-fluoro-2-oxochromene-3-carboxamide
CID 110486838
6-bromo-2-oxo-N-(3-phenylpropyl)chromene-3-carboxamide
CID 3816186
6-bromo-N-(4-bromophenyl)-2-oxochromene-3-carboxamide
CID 1111853
ethyl 2-[(6-bromo-2-oxochromene-3-carbonyl)amino]acetate
CID 3769308
N-[2-(4-fluorophenyl)ethyl]-2-oxochromene-3-carboxamide
CID 1244317
5-bromo-N-[(4-bromophenyl)methyl]-2-oxochromene-3-carboxamide
CID 171358633
6-bromo-3-[(E)-3-[1-[(4-fluorophenyl)methyl]pyridin-1-ium-4-yl]prop-2-enoyl]chromen-2-one chloride
CID 71457731
6-bromo-2-oxo-N-phenylchromene-3-carboxamide
CID 747661
methyl 6-[(6-bromo-2-oxochromene-3-carbonyl)amino]hexanoate
CID 3803342
N-[(4-fluorophenyl)methyl]-3-(4-fluorophenyl)sulfonyl-2-oxochromene-6-carboxamide
CID 20864496
2-bromo-5-fluoro-N-[(4-fluorophenyl)methyl]benzamide
CID 8927292

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-[(4-fluorophenyl)methyl]-2-oxochromene-3-carboxamide?
The IUPAC name of 6-bromo-N-[(4-fluorophenyl)methyl]-2-oxochromene-3-carboxamide (CID 2484379) is 6-bromo-N-[(4-fluorophenyl)methyl]-2-oxochromene-3-carboxamide.
What is the SMILES notation for 6-bromo-N-[(4-fluorophenyl)methyl]-2-oxochromene-3-carboxamide?
The canonical SMILES for 6-bromo-N-[(4-fluorophenyl)methyl]-2-oxochromene-3-carboxamide is O=C(NCc1ccc(F)cc1)c1cc2cc(Br)ccc2oc1=O.
What is the InChIKey of 6-bromo-N-[(4-fluorophenyl)methyl]-2-oxochromene-3-carboxamide?
The InChIKey is QULVZSSPJQNFOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11BrFNO3/c18-12-3-6-15-11(7-12)8-14(17(22)23-15)16(21)20-9-10-1-4-13(19)5-2-10/h1-8H,9H2,(H,20,21).
What are the key properties of 6-bromo-N-[(4-fluorophenyl)methyl]-2-oxochromene-3-carboxamide?
6-bromo-N-[(4-fluorophenyl)methyl]-2-oxochromene-3-carboxamide has a molecular weight of 376.18 g/mol, XLogP of 3.62, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-[(4-fluorophenyl)methyl]-2-oxochromene-3-carboxamide is sourced from PubChem (CID 2484379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).