N-[(Z)-[4-[(2,4-dibromophenyl)methoxy]phenyl]methylideneamino]-2-methoxy-4-methylbenzamide

C23H20Br2N2O3 — CID 126193582

IUPACN-[(Z)-[4-[(2,4-dibromophenyl)methoxy]phenyl]methylideneamino]-2-methoxy-4-methylbenzamide
SMILESCOc1cc(C)ccc1C(=O)N/N=C\c1ccc(OCc2ccc(Br)cc2Br)cc1
InChIInChI=1S/C23H20Br2N2O3/c1-15-3-10-20(22(11-15)29-2)23(28)27-26-13-16-4-8-19(9-5-16)30-14-17-6-7-18(24)12-21(17)25/h3-13H,14H2,1-2H3,(H,27,28)/b26-13-
InChIKeyPBECPYOOEZNPPC-ZMFRSBBQSA-N
MW532.23 g/mol
LogP5.87
Rot. Bonds7

About N-[(Z)-[4-[(2,4-dibromophenyl)methoxy]phenyl]methylideneamino]-2-methoxy-4-methylbenzamide

N-[(Z)-[4-[(2,4-dibromophenyl)methoxy]phenyl]methylideneamino]-2-methoxy-4-methylbenzamide (PubChem CID 126193582) has the molecular formula C23H20Br2N2O3 and a molecular weight of 532.23 g/mol. Its IUPAC name is N-[(Z)-[4-[(2,4-dibromophenyl)methoxy]phenyl]methylideneamino]-2-methoxy-4-methylbenzamide.

Molecular Properties

Compound NameN-[(Z)-[4-[(2,4-dibromophenyl)methoxy]phenyl]methylideneamino]-2-methoxy-4-methylbenzamide
PubChem CID126193582
Molecular FormulaC23H20Br2N2O3
Molecular Weight532.23 g/mol
Exact Mass529.98
IUPAC NameN-[(Z)-[4-[(2,4-dibromophenyl)methoxy]phenyl]methylideneamino]-2-methoxy-4-methylbenzamide
SMILESCOc1cc(C)ccc1C(=O)N/N=C\c1ccc(OCc2ccc(Br)cc2Br)cc1
InChIInChI=1S/C23H20Br2N2O3/c1-15-3-10-20(22(11-15)29-2)23(28)27-26-13-16-4-8-19(9-5-16)30-14-17-6-7-18(24)12-21(17)25/h3-13H,14H2,1-2H3,(H,27,28)/b26-13-
InChIKeyPBECPYOOEZNPPC-ZMFRSBBQSA-N
XLogP5.87
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500532.23
LogP ≤ 55.87
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

N-[(Z)-[4-[(2,4-dibromophenyl)methoxy]phenyl]methylideneamino]-4-(2,5-dimethylpyrrol-1-yl)benzamide
CID 126193653
N-[(Z)-[4-[(2,4-dibromophenyl)methoxy]phenyl]methylideneamino]naphthalene-2-carboxamide
CID 126193121
1-[(E)-[4-[(2,4-dibromophenyl)methoxy]phenyl]methylideneamino]-3-(2,3-dimethylphenyl)urea
CID 126194341
N-[[4-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-2,4-dimethoxybenzamide
CID 3617616
N-[(Z)-[4-[(2,4-dibromophenyl)methoxy]phenyl]methylideneamino]-2-hydroxy-2,2-diphenylacetamide
CID 126191522
1-(4-chlorophenyl)-3-[(E)-[4-[(2,4-dibromophenyl)methoxy]phenyl]methylideneamino]urea
CID 126192638
methyl 2-[4-[(Z)-[(2,4-dimethoxybenzoyl)hydrazinylidene]methyl]phenoxy]acetate
CID 6246445
2-methoxy-N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]benzamide
CID 6068795
N-[(Z)-[4-[(4-bromophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-2,4-dimethoxybenzamide
CID 6289868
2-bromo-N-[(E)-[4-methoxy-3-(phenoxymethyl)phenyl]methylideneamino]benzamide
CID 39818748
N-[(Z)-[3-[(4-bromophenyl)methoxy]phenyl]methylideneamino]-2,4-dimethoxybenzamide
CID 6294964
N-[(E)-(3-bromo-4-hydroxy-5-methoxyphenyl)methylideneamino]-2-chloro-4-methylbenzamide
CID 135579559

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[4-[(2,4-dibromophenyl)methoxy]phenyl]methylideneamino]-2-methoxy-4-methylbenzamide?
The IUPAC name of N-[(Z)-[4-[(2,4-dibromophenyl)methoxy]phenyl]methylideneamino]-2-methoxy-4-methylbenzamide (CID 126193582) is N-[(Z)-[4-[(2,4-dibromophenyl)methoxy]phenyl]methylideneamino]-2-methoxy-4-methylbenzamide.
What is the SMILES notation for N-[(Z)-[4-[(2,4-dibromophenyl)methoxy]phenyl]methylideneamino]-2-methoxy-4-methylbenzamide?
The canonical SMILES for N-[(Z)-[4-[(2,4-dibromophenyl)methoxy]phenyl]methylideneamino]-2-methoxy-4-methylbenzamide is COc1cc(C)ccc1C(=O)N/N=C\c1ccc(OCc2ccc(Br)cc2Br)cc1.
What is the InChIKey of N-[(Z)-[4-[(2,4-dibromophenyl)methoxy]phenyl]methylideneamino]-2-methoxy-4-methylbenzamide?
The InChIKey is PBECPYOOEZNPPC-ZMFRSBBQSA-N. The full InChI is InChI=1S/C23H20Br2N2O3/c1-15-3-10-20(22(11-15)29-2)23(28)27-26-13-16-4-8-19(9-5-16)30-14-17-6-7-18(24)12-21(17)25/h3-13H,14H2,1-2H3,(H,27,28)/b26-13-.
What are the key properties of N-[(Z)-[4-[(2,4-dibromophenyl)methoxy]phenyl]methylideneamino]-2-methoxy-4-methylbenzamide?
N-[(Z)-[4-[(2,4-dibromophenyl)methoxy]phenyl]methylideneamino]-2-methoxy-4-methylbenzamide has a molecular weight of 532.23 g/mol, XLogP of 5.87, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[4-[(2,4-dibromophenyl)methoxy]phenyl]methylideneamino]-2-methoxy-4-methylbenzamide is sourced from PubChem (CID 126193582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).