N-(4-bromophenyl)-8-methyl-4-oxochromene-2-carboxamide

C17H12BrNO3 — CID 19118994

IUPACN-(4-bromophenyl)-8-methyl-4-oxochromene-2-carboxamide
SMILESCc1cccc2c(=O)cc(C(=O)Nc3ccc(Br)cc3)oc12
InChIInChI=1S/C17H12BrNO3/c1-10-3-2-4-13-14(20)9-15(22-16(10)13)17(21)19-12-7-5-11(18)6-8-12/h2-9H,1H3,(H,19,21)
InChIKeyLMBTWFUUHLRYAQ-UHFFFAOYSA-N
MW358.19 g/mol
LogP4.12
Rot. Bonds2

About N-(4-bromophenyl)-8-methyl-4-oxochromene-2-carboxamide

N-(4-bromophenyl)-8-methyl-4-oxochromene-2-carboxamide (PubChem CID 19118994) has the molecular formula C17H12BrNO3 and a molecular weight of 358.19 g/mol. Its IUPAC name is N-(4-bromophenyl)-8-methyl-4-oxochromene-2-carboxamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-8-methyl-4-oxochromene-2-carboxamide
PubChem CID19118994
Molecular FormulaC17H12BrNO3
Molecular Weight358.19 g/mol
Exact Mass357.00
IUPAC NameN-(4-bromophenyl)-8-methyl-4-oxochromene-2-carboxamide
SMILESCc1cccc2c(=O)cc(C(=O)Nc3ccc(Br)cc3)oc12
InChIInChI=1S/C17H12BrNO3/c1-10-3-2-4-13-14(20)9-15(22-16(10)13)17(21)19-12-7-5-11(18)6-8-12/h2-9H,1H3,(H,19,21)
InChIKeyLMBTWFUUHLRYAQ-UHFFFAOYSA-N
XLogP4.12
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.19
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

8-methyl-4-oxo-N-[3-(trifluoromethyl)phenyl]chromene-2-carboxamide
CID 19119008
8-methyl-N-[4-[methyl(phenyl)sulfamoyl]phenyl]-4-oxochromene-2-carboxamide
CID 19119139
8-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-oxochromene-2-carboxamide
CID 19119114
N-(3-chloro-2-methylphenyl)-8-methyl-4-oxochromene-2-carboxamide
CID 19119023
8-methyl-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-4-oxochromene-2-carboxamide
CID 19119100
N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-8-methyl-4-oxochromene-2-carboxamide
CID 19119089
N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-8-methyl-4-oxochromene-2-carboxamide
CID 19119129
N-[2-chloro-5-(trifluoromethyl)phenyl]-8-methyl-4-oxochromene-2-carboxamide
CID 19119011
N-(3,5-dimethylphenyl)-4-oxochromene-2-carboxamide
CID 3536636
6-bromo-N-(4-chlorophenyl)-4-oxochromene-2-carboxamide
CID 35181653
8-[(4-bromobenzoyl)amino]-4-oxochromene-2-carboxylic acid
CID 71733647
N-(4-bromophenyl)-4-(6,8-dimethyl-4-oxochromen-2-yl)benzamide
CID 108786947

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-8-methyl-4-oxochromene-2-carboxamide?
The IUPAC name of N-(4-bromophenyl)-8-methyl-4-oxochromene-2-carboxamide (CID 19118994) is N-(4-bromophenyl)-8-methyl-4-oxochromene-2-carboxamide.
What is the SMILES notation for N-(4-bromophenyl)-8-methyl-4-oxochromene-2-carboxamide?
The canonical SMILES for N-(4-bromophenyl)-8-methyl-4-oxochromene-2-carboxamide is Cc1cccc2c(=O)cc(C(=O)Nc3ccc(Br)cc3)oc12.
What is the InChIKey of N-(4-bromophenyl)-8-methyl-4-oxochromene-2-carboxamide?
The InChIKey is LMBTWFUUHLRYAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12BrNO3/c1-10-3-2-4-13-14(20)9-15(22-16(10)13)17(21)19-12-7-5-11(18)6-8-12/h2-9H,1H3,(H,19,21).
What are the key properties of N-(4-bromophenyl)-8-methyl-4-oxochromene-2-carboxamide?
N-(4-bromophenyl)-8-methyl-4-oxochromene-2-carboxamide has a molecular weight of 358.19 g/mol, XLogP of 4.12, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-8-methyl-4-oxochromene-2-carboxamide is sourced from PubChem (CID 19118994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).