N-[(2-bromo-4,5-dimethoxyphenyl)methylideneamino]-3-hydroxynaphthalene-2-carboxamide

C20H17BrN2O4 — CID 3976610

IUPACN-[(2-bromo-4,5-dimethoxyphenyl)methylideneamino]-3-hydroxynaphthalene-2-carboxamide
SMILESCOc1cc(Br)c(C=NNC(=O)c2cc3ccccc3cc2O)cc1OC
InChIInChI=1S/C20H17BrN2O4/c1-26-18-9-14(16(21)10-19(18)27-2)11-22-23-20(25)15-7-12-5-3-4-6-13(12)8-17(15)24/h3-11,24H,1-2H3,(H,23,25)
InChIKeyGFTGXYIFIVDDAI-UHFFFAOYSA-N
MW429.27 g/mol
LogP4.09
Rot. Bonds5

About N-[(2-bromo-4,5-dimethoxyphenyl)methylideneamino]-3-hydroxynaphthalene-2-carboxamide

N-[(2-bromo-4,5-dimethoxyphenyl)methylideneamino]-3-hydroxynaphthalene-2-carboxamide (PubChem CID 3976610) has the molecular formula C20H17BrN2O4 and a molecular weight of 429.27 g/mol. Its IUPAC name is N-[(2-bromo-4,5-dimethoxyphenyl)methylideneamino]-3-hydroxynaphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[(2-bromo-4,5-dimethoxyphenyl)methylideneamino]-3-hydroxynaphthalene-2-carboxamide
PubChem CID3976610
Molecular FormulaC20H17BrN2O4
Molecular Weight429.27 g/mol
Exact Mass428.04
IUPAC NameN-[(2-bromo-4,5-dimethoxyphenyl)methylideneamino]-3-hydroxynaphthalene-2-carboxamide
SMILESCOc1cc(Br)c(C=NNC(=O)c2cc3ccccc3cc2O)cc1OC
InChIInChI=1S/C20H17BrN2O4/c1-26-18-9-14(16(21)10-19(18)27-2)11-22-23-20(25)15-7-12-5-3-4-6-13(12)8-17(15)24/h3-11,24H,1-2H3,(H,23,25)
InChIKeyGFTGXYIFIVDDAI-UHFFFAOYSA-N
XLogP4.09
TPSA80.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.27
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_acyl_naphthol(22)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(Z)-(5-bromo-2,4-dimethoxyphenyl)methylideneamino]-3-hydroxynaphthalene-2-carboxamide
CID 5437236
N-[(Z)-(2-bromo-4,5-dimethoxyphenyl)methylideneamino]-2-hydroxybenzamide
CID 9077699
N-[[2-bromo-4-[(4-fluorophenyl)methoxy]-5-methoxyphenyl]methylideneamino]-3-hydroxynaphthalene-2-carboxamide
CID 3667071
N-[(2-bromo-5-ethoxy-4-hydroxyphenyl)methylideneamino]-3-hydroxynaphthalene-2-carboxamide
CID 5191416
N-[(Z)-(2-bromo-4,5-dimethoxyphenyl)methylideneamino]naphthalene-1-carboxamide
CID 5430737
2-[5-bromo-2-ethoxy-4-[[(3-hydroxynaphthalene-2-carbonyl)hydrazinylidene]methyl]phenoxy]acetic acid
CID 3950319
N-[(E)-(2,3-dihydroxy-4-methoxyphenyl)methylideneamino]-3-hydroxynaphthalene-2-carboxamide
CID 176513819
2-[5-bromo-2-methoxy-4-[[(3-methoxynaphthalene-2-carbonyl)hydrazinylidene]methyl]phenoxy]acetic acid
CID 4274415
N-[(2-bromo-4,5-dimethoxyphenyl)methylideneamino]benzamide
CID 1001834
N-[[4-(2-anilino-2-oxoethoxy)-2-bromo-5-ethoxyphenyl]methylideneamino]-3-hydroxynaphthalene-2-carboxamide
CID 4651004
methyl 2-[(Z)-[(3-hydroxynaphthalene-2-carbonyl)hydrazinylidene]methyl]benzoate
CID 9212359
3-hydroxy-N-[(E)-(4-methoxyphenyl)methylideneamino]naphthalene-2-carboxamide
CID 6869154

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromo-4,5-dimethoxyphenyl)methylideneamino]-3-hydroxynaphthalene-2-carboxamide?
The IUPAC name of N-[(2-bromo-4,5-dimethoxyphenyl)methylideneamino]-3-hydroxynaphthalene-2-carboxamide (CID 3976610) is N-[(2-bromo-4,5-dimethoxyphenyl)methylideneamino]-3-hydroxynaphthalene-2-carboxamide.
What is the SMILES notation for N-[(2-bromo-4,5-dimethoxyphenyl)methylideneamino]-3-hydroxynaphthalene-2-carboxamide?
The canonical SMILES for N-[(2-bromo-4,5-dimethoxyphenyl)methylideneamino]-3-hydroxynaphthalene-2-carboxamide is COc1cc(Br)c(C=NNC(=O)c2cc3ccccc3cc2O)cc1OC.
What is the InChIKey of N-[(2-bromo-4,5-dimethoxyphenyl)methylideneamino]-3-hydroxynaphthalene-2-carboxamide?
The InChIKey is GFTGXYIFIVDDAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17BrN2O4/c1-26-18-9-14(16(21)10-19(18)27-2)11-22-23-20(25)15-7-12-5-3-4-6-13(12)8-17(15)24/h3-11,24H,1-2H3,(H,23,25).
What are the key properties of N-[(2-bromo-4,5-dimethoxyphenyl)methylideneamino]-3-hydroxynaphthalene-2-carboxamide?
N-[(2-bromo-4,5-dimethoxyphenyl)methylideneamino]-3-hydroxynaphthalene-2-carboxamide has a molecular weight of 429.27 g/mol, XLogP of 4.09, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromo-4,5-dimethoxyphenyl)methylideneamino]-3-hydroxynaphthalene-2-carboxamide is sourced from PubChem (CID 3976610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).