6-bromo-N-(4-bromophenyl)-2-oxochromene-3-carboxamide

C16H9Br2NO3 — CID 1111853

IUPAC6-bromo-N-(4-bromophenyl)-2-oxochromene-3-carboxamide
SMILESO=C(Nc1ccc(Br)cc1)c1cc2cc(Br)ccc2oc1=O
InChIInChI=1S/C16H9Br2NO3/c17-10-1-4-12(5-2-10)19-15(20)13-8-9-7-11(18)3-6-14(9)22-16(13)21/h1-8H,(H,19,20)
InChIKeyPQWSZVGJWUTMRU-UHFFFAOYSA-N
MW423.06 g/mol
LogP4.57
Rot. Bonds2

About 6-bromo-N-(4-bromophenyl)-2-oxochromene-3-carboxamide

6-bromo-N-(4-bromophenyl)-2-oxochromene-3-carboxamide (PubChem CID 1111853) has the molecular formula C16H9Br2NO3 and a molecular weight of 423.06 g/mol. Its IUPAC name is 6-bromo-N-(4-bromophenyl)-2-oxochromene-3-carboxamide.

Molecular Properties

Compound Name6-bromo-N-(4-bromophenyl)-2-oxochromene-3-carboxamide
PubChem CID1111853
Molecular FormulaC16H9Br2NO3
Molecular Weight423.06 g/mol
Exact Mass420.89
IUPAC Name6-bromo-N-(4-bromophenyl)-2-oxochromene-3-carboxamide
SMILESO=C(Nc1ccc(Br)cc1)c1cc2cc(Br)ccc2oc1=O
InChIInChI=1S/C16H9Br2NO3/c17-10-1-4-12(5-2-10)19-15(20)13-8-9-7-11(18)3-6-14(9)22-16(13)21/h1-8H,(H,19,20)
InChIKeyPQWSZVGJWUTMRU-UHFFFAOYSA-N
XLogP4.57
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.06
LogP ≤ 54.57
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-2-oxo-N-phenylchromene-3-carboxamide
CID 747661
6-bromo-N-(4-ethoxyphenyl)-2-oxochromene-3-carboxamide
CID 1363456
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
5-bromo-2-[(6-bromo-2-oxochromene-3-carbonyl)amino]benzoate
CID 6989800
6-bromo-N-[2-[[4-[(4-fluorobenzoyl)amino]benzoyl]amino]ethyl]-2-oxochromene-3-carboxamide
CID 121062024
3-methylbutyl 4-[(6-bromo-2-oxochromene-3-carbonyl)amino]benzoate
CID 19171830
N-(4-bromophenyl)-7-methoxy-2-oxochromene-3-carboxamide
CID 5262383
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
6-bromo-N-[4-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]-2-oxochromene-3-carboxamide
CID 16872825
6-bromo-N'-(2-chlorobenzoyl)-2-oxochromene-3-carbohydrazide
CID 19133244

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-(4-bromophenyl)-2-oxochromene-3-carboxamide?
The IUPAC name of 6-bromo-N-(4-bromophenyl)-2-oxochromene-3-carboxamide (CID 1111853) is 6-bromo-N-(4-bromophenyl)-2-oxochromene-3-carboxamide.
What is the SMILES notation for 6-bromo-N-(4-bromophenyl)-2-oxochromene-3-carboxamide?
The canonical SMILES for 6-bromo-N-(4-bromophenyl)-2-oxochromene-3-carboxamide is O=C(Nc1ccc(Br)cc1)c1cc2cc(Br)ccc2oc1=O.
What is the InChIKey of 6-bromo-N-(4-bromophenyl)-2-oxochromene-3-carboxamide?
The InChIKey is PQWSZVGJWUTMRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9Br2NO3/c17-10-1-4-12(5-2-10)19-15(20)13-8-9-7-11(18)3-6-14(9)22-16(13)21/h1-8H,(H,19,20).
What are the key properties of 6-bromo-N-(4-bromophenyl)-2-oxochromene-3-carboxamide?
6-bromo-N-(4-bromophenyl)-2-oxochromene-3-carboxamide has a molecular weight of 423.06 g/mol, XLogP of 4.57, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-(4-bromophenyl)-2-oxochromene-3-carboxamide is sourced from PubChem (CID 1111853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).