N-[(E)-[2-[(4-bromophenyl)methoxy]phenyl]methylideneamino]-2-methoxybenzamide

C22H19BrN2O3 — CID 96886048

IUPACN-[(E)-[2-[(4-bromophenyl)methoxy]phenyl]methylideneamino]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)N/N=C/c1ccccc1OCc1ccc(Br)cc1
InChIInChI=1S/C22H19BrN2O3/c1-27-21-9-5-3-7-19(21)22(26)25-24-14-17-6-2-4-8-20(17)28-15-16-10-12-18(23)13-11-16/h2-14H,15H2,1H3,(H,25,26)/b24-14+
InChIKeyFJUSCCHUVGUKNA-ZVHZXABRSA-N
MW439.31 g/mol
LogP4.80
Rot. Bonds7

About N-[(E)-[2-[(4-bromophenyl)methoxy]phenyl]methylideneamino]-2-methoxybenzamide

N-[(E)-[2-[(4-bromophenyl)methoxy]phenyl]methylideneamino]-2-methoxybenzamide (PubChem CID 96886048) has the molecular formula C22H19BrN2O3 and a molecular weight of 439.31 g/mol. Its IUPAC name is N-[(E)-[2-[(4-bromophenyl)methoxy]phenyl]methylideneamino]-2-methoxybenzamide.

Molecular Properties

Compound NameN-[(E)-[2-[(4-bromophenyl)methoxy]phenyl]methylideneamino]-2-methoxybenzamide
PubChem CID96886048
Molecular FormulaC22H19BrN2O3
Molecular Weight439.31 g/mol
Exact Mass438.06
IUPAC NameN-[(E)-[2-[(4-bromophenyl)methoxy]phenyl]methylideneamino]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)N/N=C/c1ccccc1OCc1ccc(Br)cc1
InChIInChI=1S/C22H19BrN2O3/c1-27-21-9-5-3-7-19(21)22(26)25-24-14-17-6-2-4-8-20(17)28-15-16-10-12-18(23)13-11-16/h2-14H,15H2,1H3,(H,25,26)/b24-14+
InChIKeyFJUSCCHUVGUKNA-ZVHZXABRSA-N
XLogP4.80
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.31
LogP ≤ 54.80
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-[[2-[(4-bromophenyl)methoxy]phenyl]methylideneamino]naphthalene-1-carboxamide
CID 86809471
N-[(Z)-[2-[(4-bromophenyl)methoxy]phenyl]methylideneamino]-2-hydroxy-4-methoxybenzamide
CID 126396352
5-bromo-N-[[2-[(3-bromophenyl)methoxy]phenyl]methylideneamino]-2-methoxybenzamide
CID 5213749
N-[[2-[(4-bromophenyl)methoxy]phenyl]methylideneamino]-2-nitrobenzamide
CID 4543105
N-[[2-[(4-bromophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-2-fluorobenzamide
CID 4174378
N-[(Z)-(5-bromo-2-phenylmethoxyphenyl)methylideneamino]-2-phenylmethoxybenzamide
CID 19657891
2,4-dimethoxy-N-[(2-phenylmethoxyphenyl)methylideneamino]benzamide
CID 4562741
N-[(2-hydroxyphenyl)methylideneamino]-2-methoxybenzamide
CID 3470891
3-methoxy-N-[(Z)-(2-phenylmethoxyphenyl)methylideneamino]naphthalene-2-carboxamide
CID 6070681
N-[(E)-[5-bromo-2-[(4-bromophenyl)methoxy]phenyl]methylideneamino]-3,4-dimethoxybenzamide
CID 126328922
2-[(4-bromophenyl)methoxy]-N-[(Z)-(2,4-dichlorophenyl)methylideneamino]benzamide
CID 97413810
2-[(4-bromophenyl)methoxy]-N-[(2,4-dichlorophenyl)methylideneamino]benzamide
CID 71960142

Frequently Asked Questions

What is the IUPAC name of N-[(E)-[2-[(4-bromophenyl)methoxy]phenyl]methylideneamino]-2-methoxybenzamide?
The IUPAC name of N-[(E)-[2-[(4-bromophenyl)methoxy]phenyl]methylideneamino]-2-methoxybenzamide (CID 96886048) is N-[(E)-[2-[(4-bromophenyl)methoxy]phenyl]methylideneamino]-2-methoxybenzamide.
What is the SMILES notation for N-[(E)-[2-[(4-bromophenyl)methoxy]phenyl]methylideneamino]-2-methoxybenzamide?
The canonical SMILES for N-[(E)-[2-[(4-bromophenyl)methoxy]phenyl]methylideneamino]-2-methoxybenzamide is COc1ccccc1C(=O)N/N=C/c1ccccc1OCc1ccc(Br)cc1.
What is the InChIKey of N-[(E)-[2-[(4-bromophenyl)methoxy]phenyl]methylideneamino]-2-methoxybenzamide?
The InChIKey is FJUSCCHUVGUKNA-ZVHZXABRSA-N. The full InChI is InChI=1S/C22H19BrN2O3/c1-27-21-9-5-3-7-19(21)22(26)25-24-14-17-6-2-4-8-20(17)28-15-16-10-12-18(23)13-11-16/h2-14H,15H2,1H3,(H,25,26)/b24-14+.
What are the key properties of N-[(E)-[2-[(4-bromophenyl)methoxy]phenyl]methylideneamino]-2-methoxybenzamide?
N-[(E)-[2-[(4-bromophenyl)methoxy]phenyl]methylideneamino]-2-methoxybenzamide has a molecular weight of 439.31 g/mol, XLogP of 4.80, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[2-[(4-bromophenyl)methoxy]phenyl]methylideneamino]-2-methoxybenzamide is sourced from PubChem (CID 96886048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).