N-[(Z)-(3,5-dibromo-4-ethoxyphenyl)methylideneamino]-3-methoxynaphthalene-2-carboxamide

C21H18Br2N2O3 — CID 126376714

IUPACN-[(Z)-(3,5-dibromo-4-ethoxyphenyl)methylideneamino]-3-methoxynaphthalene-2-carboxamide
SMILESCCOc1c(Br)cc(/C=N\NC(=O)c2cc3ccccc3cc2OC)cc1Br
InChIInChI=1S/C21H18Br2N2O3/c1-3-28-20-17(22)8-13(9-18(20)23)12-24-25-21(26)16-10-14-6-4-5-7-15(14)11-19(16)27-2/h4-12H,3H2,1-2H3,(H,25,26)/b24-12-
InChIKeyFGUHZMOVUXXHFD-MSXFZWOLSA-N
MW506.19 g/mol
LogP5.54
Rot. Bonds6

About N-[(Z)-(3,5-dibromo-4-ethoxyphenyl)methylideneamino]-3-methoxynaphthalene-2-carboxamide

N-[(Z)-(3,5-dibromo-4-ethoxyphenyl)methylideneamino]-3-methoxynaphthalene-2-carboxamide (PubChem CID 126376714) has the molecular formula C21H18Br2N2O3 and a molecular weight of 506.19 g/mol. Its IUPAC name is N-[(Z)-(3,5-dibromo-4-ethoxyphenyl)methylideneamino]-3-methoxynaphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[(Z)-(3,5-dibromo-4-ethoxyphenyl)methylideneamino]-3-methoxynaphthalene-2-carboxamide
PubChem CID126376714
Molecular FormulaC21H18Br2N2O3
Molecular Weight506.19 g/mol
Exact Mass503.97
IUPAC NameN-[(Z)-(3,5-dibromo-4-ethoxyphenyl)methylideneamino]-3-methoxynaphthalene-2-carboxamide
SMILESCCOc1c(Br)cc(/C=N\NC(=O)c2cc3ccccc3cc2OC)cc1Br
InChIInChI=1S/C21H18Br2N2O3/c1-3-28-20-17(22)8-13(9-18(20)23)12-24-25-21(26)16-10-14-6-4-5-7-15(14)11-19(16)27-2/h4-12H,3H2,1-2H3,(H,25,26)/b24-12-
InChIKeyFGUHZMOVUXXHFD-MSXFZWOLSA-N
XLogP5.54
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.19
LogP ≤ 55.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[2,6-dibromo-4-[(Z)-[(3-methoxynaphthalene-2-carbonyl)hydrazinylidene]methyl]phenoxy]acetic acid
CID 126377695
N-[(Z)-(3-bromo-5-ethoxy-4-propan-2-yloxyphenyl)methylideneamino]-3-methoxynaphthalene-2-carboxamide
CID 6252415
N-[(3-bromo-4-ethoxy-5-methoxyphenyl)methylideneamino]-3-hydroxynaphthalene-2-carboxamide
CID 3915998
N-[(Z)-[3-bromo-4-[(2S)-butan-2-yl]oxy-5-ethoxyphenyl]methylideneamino]-3-methoxynaphthalene-2-carboxamide
CID 124551216
N-[(Z)-[3,5-dibromo-4-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-3-methoxynaphthalene-2-carboxamide
CID 126378284
N-[(Z)-[3-bromo-4-[(4-bromophenyl)methoxy]-5-methoxyphenyl]methylideneamino]-3-methoxynaphthalene-2-carboxamide
CID 126376797
N-[(Z)-(3-bromo-4,5-diethoxyphenyl)methylideneamino]-2-methoxybenzamide
CID 124605332
N-[(Z)-[3-bromo-5-ethoxy-4-[2-(4-fluoroanilino)-2-oxoethoxy]phenyl]methylideneamino]-3-methoxynaphthalene-2-carboxamide
CID 126377442
2-amino-N-[(Z)-(3-bromo-4-ethoxy-5-methoxyphenyl)methylideneamino]benzamide
CID 110512103
N-[(Z)-(3-bromo-4-ethoxy-5-methoxyphenyl)methylideneamino]-2,4-dimethoxybenzamide
CID 6301205
N-[(Z)-[3-bromo-4-[(2-fluorophenyl)methoxy]-5-methoxyphenyl]methylideneamino]-3-methoxynaphthalene-2-carboxamide
CID 126377844
N-[(3-chloro-5-ethoxy-4-phenylmethoxyphenyl)methylideneamino]-3-methoxynaphthalene-2-carboxamide
CID 3279486

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(3,5-dibromo-4-ethoxyphenyl)methylideneamino]-3-methoxynaphthalene-2-carboxamide?
The IUPAC name of N-[(Z)-(3,5-dibromo-4-ethoxyphenyl)methylideneamino]-3-methoxynaphthalene-2-carboxamide (CID 126376714) is N-[(Z)-(3,5-dibromo-4-ethoxyphenyl)methylideneamino]-3-methoxynaphthalene-2-carboxamide.
What is the SMILES notation for N-[(Z)-(3,5-dibromo-4-ethoxyphenyl)methylideneamino]-3-methoxynaphthalene-2-carboxamide?
The canonical SMILES for N-[(Z)-(3,5-dibromo-4-ethoxyphenyl)methylideneamino]-3-methoxynaphthalene-2-carboxamide is CCOc1c(Br)cc(/C=N\NC(=O)c2cc3ccccc3cc2OC)cc1Br.
What is the InChIKey of N-[(Z)-(3,5-dibromo-4-ethoxyphenyl)methylideneamino]-3-methoxynaphthalene-2-carboxamide?
The InChIKey is FGUHZMOVUXXHFD-MSXFZWOLSA-N. The full InChI is InChI=1S/C21H18Br2N2O3/c1-3-28-20-17(22)8-13(9-18(20)23)12-24-25-21(26)16-10-14-6-4-5-7-15(14)11-19(16)27-2/h4-12H,3H2,1-2H3,(H,25,26)/b24-12-.
What are the key properties of N-[(Z)-(3,5-dibromo-4-ethoxyphenyl)methylideneamino]-3-methoxynaphthalene-2-carboxamide?
N-[(Z)-(3,5-dibromo-4-ethoxyphenyl)methylideneamino]-3-methoxynaphthalene-2-carboxamide has a molecular weight of 506.19 g/mol, XLogP of 5.54, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(3,5-dibromo-4-ethoxyphenyl)methylideneamino]-3-methoxynaphthalene-2-carboxamide is sourced from PubChem (CID 126376714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).