4-bromo-3-methoxy-N-(2-methyl-1,3-dioxoisoindol-5-yl)naphthalene-2-carboxamide

C21H15BrN2O4 — CID 2237139

IUPAC4-bromo-3-methoxy-N-(2-methyl-1,3-dioxoisoindol-5-yl)naphthalene-2-carboxamide
SMILESCOc1c(C(=O)Nc2ccc3c(c2)C(=O)N(C)C3=O)cc2ccccc2c1Br
InChIInChI=1S/C21H15BrN2O4/c1-24-20(26)14-8-7-12(10-15(14)21(24)27)23-19(25)16-9-11-5-3-4-6-13(11)17(22)18(16)28-2/h3-10H,1-2H3,(H,23,25)
InChIKeyZPEGONAFEOUJMJ-UHFFFAOYSA-N
MW439.27 g/mol
LogP4.09
Rot. Bonds3

About 4-bromo-3-methoxy-N-(2-methyl-1,3-dioxoisoindol-5-yl)naphthalene-2-carboxamide

4-bromo-3-methoxy-N-(2-methyl-1,3-dioxoisoindol-5-yl)naphthalene-2-carboxamide (PubChem CID 2237139) has the molecular formula C21H15BrN2O4 and a molecular weight of 439.27 g/mol. Its IUPAC name is 4-bromo-3-methoxy-N-(2-methyl-1,3-dioxoisoindol-5-yl)naphthalene-2-carboxamide.

Molecular Properties

Compound Name4-bromo-3-methoxy-N-(2-methyl-1,3-dioxoisoindol-5-yl)naphthalene-2-carboxamide
PubChem CID2237139
Molecular FormulaC21H15BrN2O4
Molecular Weight439.27 g/mol
Exact Mass438.02
IUPAC Name4-bromo-3-methoxy-N-(2-methyl-1,3-dioxoisoindol-5-yl)naphthalene-2-carboxamide
SMILESCOc1c(C(=O)Nc2ccc3c(c2)C(=O)N(C)C3=O)cc2ccccc2c1Br
InChIInChI=1S/C21H15BrN2O4/c1-24-20(26)14-8-7-12(10-15(14)21(24)27)23-19(25)16-9-11-5-3-4-6-13(11)17(22)18(16)28-2/h3-10H,1-2H3,(H,23,25)
InChIKeyZPEGONAFEOUJMJ-UHFFFAOYSA-N
XLogP4.09
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.27
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-bromo-N-(9H-fluoren-2-yl)-3-methoxynaphthalene-2-carboxamide
CID 17111494
methyl 4-[(4-bromo-3-methoxynaphthalene-2-carbonyl)amino]benzoate
CID 1258829
N-(2-methyl-1,3-dioxoisoindol-5-yl)-2-oxochromene-3-carboxamide
CID 110745312
2-[(2-methyl-1,3-dioxoisoindol-5-yl)carbamoyl]benzoic acid
CID 4174312
4-bromo-N-(5-bromo-2-pyridinyl)-3-methoxynaphthalene-2-carboxamide
CID 3654451
4-bromo-3-methoxy-N-(2,4,5-trichlorophenyl)naphthalene-2-carboxamide
CID 17111249
4-bromo-N-[2-chloro-5-(propanoylamino)phenyl]-3-methoxynaphthalene-2-carboxamide
CID 1255864
N-[4-[(4-bromo-3-methoxynaphthalene-2-carbonyl)amino]-2-methoxyphenyl]furan-2-carboxamide
CID 17117544
4-bromo-N-[4-chloro-3-(5,7-dimethyl-1,3-benzoxazol-2-yl)phenyl]-3-methoxynaphthalene-2-carboxamide
CID 17318651
4-bromo-N-(4-iodo-2-methylphenyl)-3-methoxynaphthalene-2-carboxamide
CID 17117485
4-bromo-N-(2,4-dimethoxyphenyl)-3-methoxynaphthalene-2-carboxamide
CID 2235743
4-bromo-3-methoxy-N-[4-(5-methoxy-1,3-benzoxazol-2-yl)phenyl]naphthalene-2-carboxamide
CID 17116899

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-methoxy-N-(2-methyl-1,3-dioxoisoindol-5-yl)naphthalene-2-carboxamide?
The IUPAC name of 4-bromo-3-methoxy-N-(2-methyl-1,3-dioxoisoindol-5-yl)naphthalene-2-carboxamide (CID 2237139) is 4-bromo-3-methoxy-N-(2-methyl-1,3-dioxoisoindol-5-yl)naphthalene-2-carboxamide.
What is the SMILES notation for 4-bromo-3-methoxy-N-(2-methyl-1,3-dioxoisoindol-5-yl)naphthalene-2-carboxamide?
The canonical SMILES for 4-bromo-3-methoxy-N-(2-methyl-1,3-dioxoisoindol-5-yl)naphthalene-2-carboxamide is COc1c(C(=O)Nc2ccc3c(c2)C(=O)N(C)C3=O)cc2ccccc2c1Br.
What is the InChIKey of 4-bromo-3-methoxy-N-(2-methyl-1,3-dioxoisoindol-5-yl)naphthalene-2-carboxamide?
The InChIKey is ZPEGONAFEOUJMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15BrN2O4/c1-24-20(26)14-8-7-12(10-15(14)21(24)27)23-19(25)16-9-11-5-3-4-6-13(11)17(22)18(16)28-2/h3-10H,1-2H3,(H,23,25).
What are the key properties of 4-bromo-3-methoxy-N-(2-methyl-1,3-dioxoisoindol-5-yl)naphthalene-2-carboxamide?
4-bromo-3-methoxy-N-(2-methyl-1,3-dioxoisoindol-5-yl)naphthalene-2-carboxamide has a molecular weight of 439.27 g/mol, XLogP of 4.09, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-methoxy-N-(2-methyl-1,3-dioxoisoindol-5-yl)naphthalene-2-carboxamide is sourced from PubChem (CID 2237139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).