N-(4-bromo-2-methylphenyl)-8-methoxy-2-oxochromene-3-carboxamide

C18H14BrNO4 — CID 9264254

IUPACN-(4-bromo-2-methylphenyl)-8-methoxy-2-oxochromene-3-carboxamide
SMILESCOc1cccc2cc(C(=O)Nc3ccc(Br)cc3C)c(=O)oc12
InChIInChI=1S/C18H14BrNO4/c1-10-8-12(19)6-7-14(10)20-17(21)13-9-11-4-3-5-15(23-2)16(11)24-18(13)22/h3-9H,1-2H3,(H,20,21)
InChIKeyYTMYGYNNZQUNCC-UHFFFAOYSA-N
MW388.22 g/mol
LogP4.12
Rot. Bonds3

About N-(4-bromo-2-methylphenyl)-8-methoxy-2-oxochromene-3-carboxamide

N-(4-bromo-2-methylphenyl)-8-methoxy-2-oxochromene-3-carboxamide (PubChem CID 9264254) has the molecular formula C18H14BrNO4 and a molecular weight of 388.22 g/mol. Its IUPAC name is N-(4-bromo-2-methylphenyl)-8-methoxy-2-oxochromene-3-carboxamide.

Molecular Properties

Compound NameN-(4-bromo-2-methylphenyl)-8-methoxy-2-oxochromene-3-carboxamide
PubChem CID9264254
Molecular FormulaC18H14BrNO4
Molecular Weight388.22 g/mol
Exact Mass387.01
IUPAC NameN-(4-bromo-2-methylphenyl)-8-methoxy-2-oxochromene-3-carboxamide
SMILESCOc1cccc2cc(C(=O)Nc3ccc(Br)cc3C)c(=O)oc12
InChIInChI=1S/C18H14BrNO4/c1-10-8-12(19)6-7-14(10)20-17(21)13-9-11-4-3-5-15(23-2)16(11)24-18(13)22/h3-9H,1-2H3,(H,20,21)
InChIKeyYTMYGYNNZQUNCC-UHFFFAOYSA-N
XLogP4.12
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.22
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Related Compounds

N-(2,5-dimethylphenyl)-8-methoxy-2-oxochromene-3-carboxamide
CID 16896367
N-[2-[(4-bromophenyl)sulfonylamino]phenyl]-8-methoxy-2-oxochromene-3-carboxamide
CID 10578108
N-(2-fluorophenyl)-8-methoxy-2-oxochromene-3-carboxamide
CID 749756
N-(2-ethylphenyl)-8-methoxy-2-oxochromene-3-carboxamide
CID 708002
2-hydroxy-3-[(8-methoxy-2-oxochromene-3-carbonyl)amino]benzoic acid
CID 66485426
N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-7-methoxy-1-benzofuran-2-carboxamide
CID 78867316
N-(2-cyanophenyl)-8-methoxy-2-oxochromene-3-carboxamide
CID 17087466
8-methoxy-2-oxo-N-[2-(trifluoromethyl)phenyl]chromene-3-carboxamide
CID 1307889
N-(2,6-diethylphenyl)-8-methoxy-2-oxochromene-3-carboxamide
CID 7470756
6-bromo-N-(2-hydroxyphenyl)-8-methoxy-2-oxochromene-3-carboxamide
CID 1288481
N-(4-bromo-2-methylphenyl)-2-fluoro-6-methoxybenzamide
CID 65434983
2-amino-N-(4-bromo-2-methylphenyl)-6-methoxybenzamide
CID 81410020

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-methylphenyl)-8-methoxy-2-oxochromene-3-carboxamide?
The IUPAC name of N-(4-bromo-2-methylphenyl)-8-methoxy-2-oxochromene-3-carboxamide (CID 9264254) is N-(4-bromo-2-methylphenyl)-8-methoxy-2-oxochromene-3-carboxamide.
What is the SMILES notation for N-(4-bromo-2-methylphenyl)-8-methoxy-2-oxochromene-3-carboxamide?
The canonical SMILES for N-(4-bromo-2-methylphenyl)-8-methoxy-2-oxochromene-3-carboxamide is COc1cccc2cc(C(=O)Nc3ccc(Br)cc3C)c(=O)oc12.
What is the InChIKey of N-(4-bromo-2-methylphenyl)-8-methoxy-2-oxochromene-3-carboxamide?
The InChIKey is YTMYGYNNZQUNCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14BrNO4/c1-10-8-12(19)6-7-14(10)20-17(21)13-9-11-4-3-5-15(23-2)16(11)24-18(13)22/h3-9H,1-2H3,(H,20,21).
What are the key properties of N-(4-bromo-2-methylphenyl)-8-methoxy-2-oxochromene-3-carboxamide?
N-(4-bromo-2-methylphenyl)-8-methoxy-2-oxochromene-3-carboxamide has a molecular weight of 388.22 g/mol, XLogP of 4.12, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-methylphenyl)-8-methoxy-2-oxochromene-3-carboxamide is sourced from PubChem (CID 9264254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).