6-bromo-N-(4-chlorophenyl)-4-oxochromene-2-carboxamide

C16H9BrClNO3 — CID 35181653

IUPAC6-bromo-N-(4-chlorophenyl)-4-oxochromene-2-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1)c1cc(=O)c2cc(Br)ccc2o1
InChIInChI=1S/C16H9BrClNO3/c17-9-1-6-14-12(7-9)13(20)8-15(22-14)16(21)19-11-4-2-10(18)3-5-11/h1-8H,(H,19,21)
InChIKeyBMIPHBRKZXNOOX-UHFFFAOYSA-N
MW378.61 g/mol
LogP4.46
Rot. Bonds2

About 6-bromo-N-(4-chlorophenyl)-4-oxochromene-2-carboxamide

6-bromo-N-(4-chlorophenyl)-4-oxochromene-2-carboxamide (PubChem CID 35181653) has the molecular formula C16H9BrClNO3 and a molecular weight of 378.61 g/mol. Its IUPAC name is 6-bromo-N-(4-chlorophenyl)-4-oxochromene-2-carboxamide.

Molecular Properties

Compound Name6-bromo-N-(4-chlorophenyl)-4-oxochromene-2-carboxamide
PubChem CID35181653
Molecular FormulaC16H9BrClNO3
Molecular Weight378.61 g/mol
Exact Mass376.95
IUPAC Name6-bromo-N-(4-chlorophenyl)-4-oxochromene-2-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1)c1cc(=O)c2cc(Br)ccc2o1
InChIInChI=1S/C16H9BrClNO3/c17-9-1-6-14-12(7-9)13(20)8-15(22-14)16(21)19-11-4-2-10(18)3-5-11/h1-8H,(H,19,21)
InChIKeyBMIPHBRKZXNOOX-UHFFFAOYSA-N
XLogP4.46
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.61
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-chloro-N-(4-chlorophenyl)-4-oxochromene-2-carboxamide
CID 9068735
6-chloro-N-(4-fluorophenyl)-4-oxochromene-2-carboxamide
CID 9040132
N-(4-tert-butylphenyl)-6-chloro-4-oxochromene-2-carboxamide
CID 9203867
1-[(6-chloro-4-oxochromene-2-carbonyl)amino]-3-(4-chlorophenyl)thiourea
CID 9317388
6-bromo-N-[2-chloro-5-(trifluoromethyl)phenyl]-4-oxochromene-2-carboxamide
CID 35181492
7-bromo-N-(3-chloro-4-methoxyphenyl)-4-oxochromene-2-carboxamide
CID 35180956
N-(4-chlorophenyl)-5-fluoro-1-benzofuran-2-carboxamide
CID 78843309
N-(4-bromophenyl)-8-methyl-4-oxochromene-2-carboxamide
CID 19118994
6-chloro-N-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)-4-oxochromene-2-carboxamide
CID 51065387
[4-[(4-chlorophenyl)carbamoyl]phenyl] 5-bromo-1-benzofuran-2-carboxylate
CID 19225501
5-bromo-N-(4-methoxyphenyl)-1-benzofuran-2-carboxamide
CID 2986420
N-(3,5-dimethylphenyl)-4-oxochromene-2-carboxamide
CID 3536636

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-(4-chlorophenyl)-4-oxochromene-2-carboxamide?
The IUPAC name of 6-bromo-N-(4-chlorophenyl)-4-oxochromene-2-carboxamide (CID 35181653) is 6-bromo-N-(4-chlorophenyl)-4-oxochromene-2-carboxamide.
What is the SMILES notation for 6-bromo-N-(4-chlorophenyl)-4-oxochromene-2-carboxamide?
The canonical SMILES for 6-bromo-N-(4-chlorophenyl)-4-oxochromene-2-carboxamide is O=C(Nc1ccc(Cl)cc1)c1cc(=O)c2cc(Br)ccc2o1.
What is the InChIKey of 6-bromo-N-(4-chlorophenyl)-4-oxochromene-2-carboxamide?
The InChIKey is BMIPHBRKZXNOOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9BrClNO3/c17-9-1-6-14-12(7-9)13(20)8-15(22-14)16(21)19-11-4-2-10(18)3-5-11/h1-8H,(H,19,21).
What are the key properties of 6-bromo-N-(4-chlorophenyl)-4-oxochromene-2-carboxamide?
6-bromo-N-(4-chlorophenyl)-4-oxochromene-2-carboxamide has a molecular weight of 378.61 g/mol, XLogP of 4.46, 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-chlorophenyl)-4-oxochromene-2-carboxamide is sourced from PubChem (CID 35181653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).