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

C28H23BrCl2N2O4 — CID 126378512

IUPACN-[(Z)-[2-bromo-4-[(2,4-dichlorophenyl)methoxy]-5-ethoxyphenyl]methylideneamino]-3-methoxynaphthalene-2-carboxamide
SMILESCCOc1cc(/C=N\NC(=O)c2cc3ccccc3cc2OC)c(Br)cc1OCc1ccc(Cl)cc1Cl
InChIInChI=1S/C28H23BrCl2N2O4/c1-3-36-26-12-20(23(29)14-27(26)37-16-19-8-9-21(30)13-24(19)31)15-32-33-28(34)22-10-17-6-4-5-7-18(17)11-25(22)35-2/h4-15H,3,16H2,1-2H3,(H,33,34)/b32-15-
InChIKeyWHDFTMJGMHZZNF-CNCDYAKUSA-N
MW602.31 g/mol
LogP7.66
Rot. Bonds9

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

N-[(Z)-[2-bromo-4-[(2,4-dichlorophenyl)methoxy]-5-ethoxyphenyl]methylideneamino]-3-methoxynaphthalene-2-carboxamide (PubChem CID 126378512) has the molecular formula C28H23BrCl2N2O4 and a molecular weight of 602.31 g/mol. Its IUPAC name is N-[(Z)-[2-bromo-4-[(2,4-dichlorophenyl)methoxy]-5-ethoxyphenyl]methylideneamino]-3-methoxynaphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[(Z)-[2-bromo-4-[(2,4-dichlorophenyl)methoxy]-5-ethoxyphenyl]methylideneamino]-3-methoxynaphthalene-2-carboxamide
PubChem CID126378512
Molecular FormulaC28H23BrCl2N2O4
Molecular Weight602.31 g/mol
Exact Mass600.02
IUPAC NameN-[(Z)-[2-bromo-4-[(2,4-dichlorophenyl)methoxy]-5-ethoxyphenyl]methylideneamino]-3-methoxynaphthalene-2-carboxamide
SMILESCCOc1cc(/C=N\NC(=O)c2cc3ccccc3cc2OC)c(Br)cc1OCc1ccc(Cl)cc1Cl
InChIInChI=1S/C28H23BrCl2N2O4/c1-3-36-26-12-20(23(29)14-27(26)37-16-19-8-9-21(30)13-24(19)31)15-32-33-28(34)22-10-17-6-4-5-7-18(17)11-25(22)35-2/h4-15H,3,16H2,1-2H3,(H,33,34)/b32-15-
InChIKeyWHDFTMJGMHZZNF-CNCDYAKUSA-N
XLogP7.66
TPSA69.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500602.31
LogP ≤ 57.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

N-[(Z)-[2-bromo-4-[(4-bromophenyl)methoxy]-5-ethoxyphenyl]methylideneamino]-3-methoxynaphthalene-2-carboxamide
CID 126378322
N-[[2-bromo-4-[(2,4-dichlorophenyl)methoxy]-5-ethoxyphenyl]methylideneamino]-2-chloropyridine-3-carboxamide
CID 4319773
2-[5-bromo-2-methoxy-4-[[(3-methoxynaphthalene-2-carbonyl)hydrazinylidene]methyl]phenoxy]acetic acid
CID 4274415
2-bromo-N-[(E)-[4-[(2,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]methylideneamino]benzamide
CID 17245276
5,7-dibromo-N-[(Z)-[2-bromo-4-[(2,4-dichlorophenyl)methoxy]-5-ethoxyphenyl]methylideneamino]-1-benzofuran-2-carboxamide
CID 21376152
N-[(E)-[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-4-ethoxy-3-methoxybenzamide
CID 126328663
2-bromo-N-[(E)-[2-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]benzamide
CID 17245231
N-[(Z)-(3,5-dibromo-4-ethoxyphenyl)methylideneamino]-3-methoxynaphthalene-2-carboxamide
CID 126376714
N-[(E)-(4-ethoxy-2-hydroxyphenyl)methylideneamino]-3-methoxynaphthalene-2-carboxamide
CID 135533021
N-[(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-3-methoxynaphthalene-2-carboxamide
CID 135613420
N-[[3-bromo-4-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-3-hydroxynaphthalene-2-carboxamide
CID 4693550
2-bromo-N-[(E)-[3-chloro-4-[(2,4-dichlorophenyl)methoxy]-5-ethoxyphenyl]methylideneamino]benzamide
CID 17245478

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[2-bromo-4-[(2,4-dichlorophenyl)methoxy]-5-ethoxyphenyl]methylideneamino]-3-methoxynaphthalene-2-carboxamide?
The IUPAC name of N-[(Z)-[2-bromo-4-[(2,4-dichlorophenyl)methoxy]-5-ethoxyphenyl]methylideneamino]-3-methoxynaphthalene-2-carboxamide (CID 126378512) is N-[(Z)-[2-bromo-4-[(2,4-dichlorophenyl)methoxy]-5-ethoxyphenyl]methylideneamino]-3-methoxynaphthalene-2-carboxamide.
What is the SMILES notation for N-[(Z)-[2-bromo-4-[(2,4-dichlorophenyl)methoxy]-5-ethoxyphenyl]methylideneamino]-3-methoxynaphthalene-2-carboxamide?
The canonical SMILES for N-[(Z)-[2-bromo-4-[(2,4-dichlorophenyl)methoxy]-5-ethoxyphenyl]methylideneamino]-3-methoxynaphthalene-2-carboxamide is CCOc1cc(/C=N\NC(=O)c2cc3ccccc3cc2OC)c(Br)cc1OCc1ccc(Cl)cc1Cl.
What is the InChIKey of N-[(Z)-[2-bromo-4-[(2,4-dichlorophenyl)methoxy]-5-ethoxyphenyl]methylideneamino]-3-methoxynaphthalene-2-carboxamide?
The InChIKey is WHDFTMJGMHZZNF-CNCDYAKUSA-N. The full InChI is InChI=1S/C28H23BrCl2N2O4/c1-3-36-26-12-20(23(29)14-27(26)37-16-19-8-9-21(30)13-24(19)31)15-32-33-28(34)22-10-17-6-4-5-7-18(17)11-25(22)35-2/h4-15H,3,16H2,1-2H3,(H,33,34)/b32-15-.
What are the key properties of N-[(Z)-[2-bromo-4-[(2,4-dichlorophenyl)methoxy]-5-ethoxyphenyl]methylideneamino]-3-methoxynaphthalene-2-carboxamide?
N-[(Z)-[2-bromo-4-[(2,4-dichlorophenyl)methoxy]-5-ethoxyphenyl]methylideneamino]-3-methoxynaphthalene-2-carboxamide has a molecular weight of 602.31 g/mol, XLogP of 7.66, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[2-bromo-4-[(2,4-dichlorophenyl)methoxy]-5-ethoxyphenyl]methylideneamino]-3-methoxynaphthalene-2-carboxamide is sourced from PubChem (CID 126378512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).