N-[(Z)-[3-[(4-bromophenyl)methoxy]phenyl]methylideneamino]-2,4-dimethoxybenzamide

C23H21BrN2O4 — CID 6294964

IUPACN-[(Z)-[3-[(4-bromophenyl)methoxy]phenyl]methylideneamino]-2,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)N/N=C\c2cccc(OCc3ccc(Br)cc3)c2)c(OC)c1
InChIInChI=1S/C23H21BrN2O4/c1-28-19-10-11-21(22(13-19)29-2)23(27)26-25-14-17-4-3-5-20(12-17)30-15-16-6-8-18(24)9-7-16/h3-14H,15H2,1-2H3,(H,26,27)/b25-14-
InChIKeyYREIQPMRESURPB-QFEZKATASA-N
MW469.34 g/mol
LogP4.81
Rot. Bonds8

About N-[(Z)-[3-[(4-bromophenyl)methoxy]phenyl]methylideneamino]-2,4-dimethoxybenzamide

N-[(Z)-[3-[(4-bromophenyl)methoxy]phenyl]methylideneamino]-2,4-dimethoxybenzamide (PubChem CID 6294964) has the molecular formula C23H21BrN2O4 and a molecular weight of 469.34 g/mol. Its IUPAC name is N-[(Z)-[3-[(4-bromophenyl)methoxy]phenyl]methylideneamino]-2,4-dimethoxybenzamide.

Molecular Properties

Compound NameN-[(Z)-[3-[(4-bromophenyl)methoxy]phenyl]methylideneamino]-2,4-dimethoxybenzamide
PubChem CID6294964
Molecular FormulaC23H21BrN2O4
Molecular Weight469.34 g/mol
Exact Mass468.07
IUPAC NameN-[(Z)-[3-[(4-bromophenyl)methoxy]phenyl]methylideneamino]-2,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)N/N=C\c2cccc(OCc3ccc(Br)cc3)c2)c(OC)c1
InChIInChI=1S/C23H21BrN2O4/c1-28-19-10-11-21(22(13-19)29-2)23(27)26-25-14-17-4-3-5-20(12-17)30-15-16-6-8-18(24)9-7-16/h3-14H,15H2,1-2H3,(H,26,27)/b25-14-
InChIKeyYREIQPMRESURPB-QFEZKATASA-N
XLogP4.81
TPSA69.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.34
LogP ≤ 54.81
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)-[4-[(4-bromophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-2,4-dimethoxybenzamide
CID 6289868
5-bromo-N-[(3-methoxyphenyl)methylideneamino]-2-phenylmethoxybenzamide
CID 71960112
methyl 4-[[3-[[(2-methoxy-4-methylbenzoyl)hydrazinylidene]methyl]phenoxy]methyl]benzoate
CID 5144507
N-[(Z)-[3-[(4-bromophenyl)methoxy]phenyl]methylideneamino]-5-methylfuran-2-carboxamide
CID 126375359
N-[[4-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-2,4-dimethoxybenzamide
CID 3617616
N-[(E)-[4-[(4-bromophenyl)methoxy]phenyl]methylideneamino]-3-methoxybenzamide
CID 90643398
N-[(Z)-[3-bromo-4-[(4-bromophenyl)methoxy]-5-methoxyphenyl]methylideneamino]-2-hydroxy-4-methoxybenzamide
CID 126395065
5-bromo-2-ethoxy-N-[(3-methoxyphenyl)methylideneamino]benzamide
CID 71960212
4-bromo-N-[(E)-(3-methoxyphenyl)methylideneamino]benzamide
CID 6907430
N-[(Z)-[3-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-4-methoxybenzamide
CID 6057561
N-[(Z)-[2-[(4-bromophenyl)methoxy]phenyl]methylideneamino]-2-hydroxy-4-methoxybenzamide
CID 126396352
N-[(E)-[3-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]-3,4-dimethoxybenzamide
CID 126329870

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[3-[(4-bromophenyl)methoxy]phenyl]methylideneamino]-2,4-dimethoxybenzamide?
The IUPAC name of N-[(Z)-[3-[(4-bromophenyl)methoxy]phenyl]methylideneamino]-2,4-dimethoxybenzamide (CID 6294964) is N-[(Z)-[3-[(4-bromophenyl)methoxy]phenyl]methylideneamino]-2,4-dimethoxybenzamide.
What is the SMILES notation for N-[(Z)-[3-[(4-bromophenyl)methoxy]phenyl]methylideneamino]-2,4-dimethoxybenzamide?
The canonical SMILES for N-[(Z)-[3-[(4-bromophenyl)methoxy]phenyl]methylideneamino]-2,4-dimethoxybenzamide is COc1ccc(C(=O)N/N=C\c2cccc(OCc3ccc(Br)cc3)c2)c(OC)c1.
What is the InChIKey of N-[(Z)-[3-[(4-bromophenyl)methoxy]phenyl]methylideneamino]-2,4-dimethoxybenzamide?
The InChIKey is YREIQPMRESURPB-QFEZKATASA-N. The full InChI is InChI=1S/C23H21BrN2O4/c1-28-19-10-11-21(22(13-19)29-2)23(27)26-25-14-17-4-3-5-20(12-17)30-15-16-6-8-18(24)9-7-16/h3-14H,15H2,1-2H3,(H,26,27)/b25-14-.
What are the key properties of N-[(Z)-[3-[(4-bromophenyl)methoxy]phenyl]methylideneamino]-2,4-dimethoxybenzamide?
N-[(Z)-[3-[(4-bromophenyl)methoxy]phenyl]methylideneamino]-2,4-dimethoxybenzamide has a molecular weight of 469.34 g/mol, XLogP of 4.81, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[3-[(4-bromophenyl)methoxy]phenyl]methylideneamino]-2,4-dimethoxybenzamide is sourced from PubChem (CID 6294964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).