6-bromo-2-oxo-N-phenylchromene-3-carboxamide

C16H10BrNO3 — CID 747661

IUPAC6-bromo-2-oxo-N-phenylchromene-3-carboxamide
SMILESO=C(Nc1ccccc1)c1cc2cc(Br)ccc2oc1=O
InChIInChI=1S/C16H10BrNO3/c17-11-6-7-14-10(8-11)9-13(16(20)21-14)15(19)18-12-4-2-1-3-5-12/h1-9H,(H,18,19)
InChIKeyPNVSYOXGZZSDQM-UHFFFAOYSA-N
MW344.16 g/mol
LogP3.81
Rot. Bonds2

About 6-bromo-2-oxo-N-phenylchromene-3-carboxamide

6-bromo-2-oxo-N-phenylchromene-3-carboxamide (PubChem CID 747661) has the molecular formula C16H10BrNO3 and a molecular weight of 344.16 g/mol. Its IUPAC name is 6-bromo-2-oxo-N-phenylchromene-3-carboxamide.

Molecular Properties

Compound Name6-bromo-2-oxo-N-phenylchromene-3-carboxamide
PubChem CID747661
Molecular FormulaC16H10BrNO3
Molecular Weight344.16 g/mol
Exact Mass342.98
IUPAC Name6-bromo-2-oxo-N-phenylchromene-3-carboxamide
SMILESO=C(Nc1ccccc1)c1cc2cc(Br)ccc2oc1=O
InChIInChI=1S/C16H10BrNO3/c17-11-6-7-14-10(8-11)9-13(16(20)21-14)15(19)18-12-4-2-1-3-5-12/h1-9H,(H,18,19)
InChIKeyPNVSYOXGZZSDQM-UHFFFAOYSA-N
XLogP3.81
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.16
LogP ≤ 53.81
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-(4-bromophenyl)-2-oxochromene-3-carboxamide
CID 1111853
6-bromo-N-(4-ethoxyphenyl)-2-oxochromene-3-carboxamide
CID 1363456
6-nitro-2-oxo-N-phenylchromene-3-carboxamide
CID 739350
6-bromo-N'-(2-chlorobenzoyl)-2-oxochromene-3-carbohydrazide
CID 19133244
5-bromo-2-[(6-bromo-2-oxochromene-3-carbonyl)amino]benzoate
CID 6989800
6-bromo-N-[4-[(4-nitrophenyl)diazenyl]phenyl]-2-oxochromene-3-carboxamide
CID 21240129
6-bromo-2-oxo-N-(4-pyrrolidin-1-ylsulfonylphenyl)chromene-3-carboxamide
CID 16645643
6-bromo-2-oxo-N-(3-phenylpropyl)chromene-3-carboxamide
CID 3816186
6-bromo-2-oxo-N-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]chromene-3-carboxamide
CID 40998777
6-bromo-N-(4-iodo-2-methylphenyl)-2-oxochromene-3-carboxamide
CID 19171684
3-methylbutyl 4-[(6-bromo-2-oxochromene-3-carbonyl)amino]benzoate
CID 19171830
6-bromo-2-oxo-N-[(2R)-4-phenylbutan-2-yl]chromene-3-carboxamide
CID 2090696

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-oxo-N-phenylchromene-3-carboxamide?
The IUPAC name of 6-bromo-2-oxo-N-phenylchromene-3-carboxamide (CID 747661) is 6-bromo-2-oxo-N-phenylchromene-3-carboxamide.
What is the SMILES notation for 6-bromo-2-oxo-N-phenylchromene-3-carboxamide?
The canonical SMILES for 6-bromo-2-oxo-N-phenylchromene-3-carboxamide is O=C(Nc1ccccc1)c1cc2cc(Br)ccc2oc1=O.
What is the InChIKey of 6-bromo-2-oxo-N-phenylchromene-3-carboxamide?
The InChIKey is PNVSYOXGZZSDQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10BrNO3/c17-11-6-7-14-10(8-11)9-13(16(20)21-14)15(19)18-12-4-2-1-3-5-12/h1-9H,(H,18,19).
What are the key properties of 6-bromo-2-oxo-N-phenylchromene-3-carboxamide?
6-bromo-2-oxo-N-phenylchromene-3-carboxamide has a molecular weight of 344.16 g/mol, XLogP of 3.81, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-oxo-N-phenylchromene-3-carboxamide is sourced from PubChem (CID 747661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).