N-(3-bromophenyl)-4-oxochromene-3-carboxamide

C16H10BrNO3 — CID 139087386

IUPACN-(3-bromophenyl)-4-oxochromene-3-carboxamide
SMILESO=C(Nc1cccc(Br)c1)c1coc2ccccc2c1=O
InChIInChI=1S/C16H10BrNO3/c17-10-4-3-5-11(8-10)18-16(20)13-9-21-14-7-2-1-6-12(14)15(13)19/h1-9H,(H,18,20)
InChIKeyRUJCXBGZGHGBRS-UHFFFAOYSA-N
MW344.16 g/mol
LogP3.81
Rot. Bonds2

About N-(3-bromophenyl)-4-oxochromene-3-carboxamide

N-(3-bromophenyl)-4-oxochromene-3-carboxamide (PubChem CID 139087386) has the molecular formula C16H10BrNO3 and a molecular weight of 344.16 g/mol. Its IUPAC name is N-(3-bromophenyl)-4-oxochromene-3-carboxamide.

Molecular Properties

Compound NameN-(3-bromophenyl)-4-oxochromene-3-carboxamide
PubChem CID139087386
Molecular FormulaC16H10BrNO3
Molecular Weight344.16 g/mol
Exact Mass342.98
IUPAC NameN-(3-bromophenyl)-4-oxochromene-3-carboxamide
SMILESO=C(Nc1cccc(Br)c1)c1coc2ccccc2c1=O
InChIInChI=1S/C16H10BrNO3/c17-10-4-3-5-11(8-10)18-16(20)13-9-21-14-7-2-1-6-12(14)15(13)19/h1-9H,(H,18,20)
InChIKeyRUJCXBGZGHGBRS-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

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Related Compounds

N-(3-chlorophenyl)-4-oxo-4h-chromen-3-carboxamide
CID 132941420
N-(3,4-dimethylphenyl)-4-oxochromene-3-carboxamide
CID 132941421
N-(4-Bromophenyl)-4-methoxybenzamide
CID 346051
N-(4-bromophenyl)-2-methoxybenzamide
CID 531916
N-(3-fluorophenyl)-4-oxochromene-3-carboxamide
CID 133053560
N-(4-bromo-2-methylphenyl)-2-methoxybenzamide
CID 873426
N-(4-Chlorophenyl)-4-oxo-4H-chromene-3-carboxamide
CID 14570343
N-(4-iodophenyl)-4-oxo-4H-chromene-3-carboxamide
CID 51003566
4-oxo-N-[4-(trifluoromethyl)phenyl]chromene-3-carboxamide
CID 53380594
6-methyl-4-oxo-N-phenyl-4h-chromen-3-carboxamide
CID 101788293
6-methyl-N-(4-methylphenyl)-4-oxochromene-3-carboxamide
CID 101788294
6-methoxy-4-oxo-N-phenylchromene-3-carboxamide
CID 137638039

Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-4-oxochromene-3-carboxamide?
The IUPAC name of N-(3-bromophenyl)-4-oxochromene-3-carboxamide (CID 139087386) is N-(3-bromophenyl)-4-oxochromene-3-carboxamide.
What is the SMILES notation for N-(3-bromophenyl)-4-oxochromene-3-carboxamide?
The canonical SMILES for N-(3-bromophenyl)-4-oxochromene-3-carboxamide is O=C(Nc1cccc(Br)c1)c1coc2ccccc2c1=O.
What is the InChIKey of N-(3-bromophenyl)-4-oxochromene-3-carboxamide?
The InChIKey is RUJCXBGZGHGBRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10BrNO3/c17-10-4-3-5-11(8-10)18-16(20)13-9-21-14-7-2-1-6-12(14)15(13)19/h1-9H,(H,18,20).
What are the key properties of N-(3-bromophenyl)-4-oxochromene-3-carboxamide?
N-(3-bromophenyl)-4-oxochromene-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 N-(3-bromophenyl)-4-oxochromene-3-carboxamide is sourced from PubChem (CID 139087386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).