5-bromo-N-[[2-[(3-bromophenyl)methoxy]phenyl]methylideneamino]-2-methoxybenzamide

C22H18Br2N2O3 — CID 5213749

IUPAC5-bromo-N-[[2-[(3-bromophenyl)methoxy]phenyl]methylideneamino]-2-methoxybenzamide
SMILESCOc1ccc(Br)cc1C(=O)NN=Cc1ccccc1OCc1cccc(Br)c1
InChIInChI=1S/C22H18Br2N2O3/c1-28-21-10-9-18(24)12-19(21)22(27)26-25-13-16-6-2-3-8-20(16)29-14-15-5-4-7-17(23)11-15/h2-13H,14H2,1H3,(H,26,27)
InChIKeySCYHNEKMSZEWSS-UHFFFAOYSA-N
MW518.21 g/mol
LogP5.56
Rot. Bonds7

About 5-bromo-N-[[2-[(3-bromophenyl)methoxy]phenyl]methylideneamino]-2-methoxybenzamide

5-bromo-N-[[2-[(3-bromophenyl)methoxy]phenyl]methylideneamino]-2-methoxybenzamide (PubChem CID 5213749) has the molecular formula C22H18Br2N2O3 and a molecular weight of 518.21 g/mol. Its IUPAC name is 5-bromo-N-[[2-[(3-bromophenyl)methoxy]phenyl]methylideneamino]-2-methoxybenzamide.

Molecular Properties

Compound Name5-bromo-N-[[2-[(3-bromophenyl)methoxy]phenyl]methylideneamino]-2-methoxybenzamide
PubChem CID5213749
Molecular FormulaC22H18Br2N2O3
Molecular Weight518.21 g/mol
Exact Mass515.97
IUPAC Name5-bromo-N-[[2-[(3-bromophenyl)methoxy]phenyl]methylideneamino]-2-methoxybenzamide
SMILESCOc1ccc(Br)cc1C(=O)NN=Cc1ccccc1OCc1cccc(Br)c1
InChIInChI=1S/C22H18Br2N2O3/c1-28-21-10-9-18(24)12-19(21)22(27)26-25-13-16-6-2-3-8-20(16)29-14-15-5-4-7-17(23)11-15/h2-13H,14H2,1H3,(H,26,27)
InChIKeySCYHNEKMSZEWSS-UHFFFAOYSA-N
XLogP5.56
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500518.21
LogP ≤ 55.56
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)-[2-[(3-bromophenyl)methoxy]phenyl]methylideneamino]benzamide
CID 6262708
N-[(E)-[2-[(4-bromophenyl)methoxy]phenyl]methylideneamino]-2-methoxybenzamide
CID 96886048
4-[(3-bromophenyl)methoxy]-N-[(2-bromophenyl)methylideneamino]-3-methoxybenzamide
CID 3400456
5-bromo-2-ethoxy-N-[(2-methoxyphenyl)methylideneamino]benzamide
CID 4101486
5-bromo-N-[(5-bromo-2-ethoxyphenyl)methylideneamino]-2-phenylmethoxybenzamide
CID 4080043
3-methoxy-N-[(Z)-(2-phenylmethoxyphenyl)methylideneamino]naphthalene-2-carboxamide
CID 6070681
N-[(Z)-(5-bromo-2-phenylmethoxyphenyl)methylideneamino]-2-phenylmethoxybenzamide
CID 19657891
N-[[2-[(3-bromophenyl)methoxy]phenyl]methylideneamino]-2-(2-methoxyanilino)propanamide
CID 12005344
(2R)-N-[[2-[(3-bromophenyl)methoxy]phenyl]methylideneamino]-2-(2-methoxyanilino)propanamide
CID 124834516
2-(4-bromophenoxy)-N-[[2-[(3-bromophenyl)methoxy]phenyl]methylideneamino]propanamide
CID 3684614
2-[(3-bromophenyl)methoxy]-N-[(E)-(4-bromophenyl)methylideneamino]benzamide
CID 83290842
2-[(3-bromophenyl)methoxy]-N-[(Z)-(4-bromophenyl)methylideneamino]benzamide
CID 97413809

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[[2-[(3-bromophenyl)methoxy]phenyl]methylideneamino]-2-methoxybenzamide?
The IUPAC name of 5-bromo-N-[[2-[(3-bromophenyl)methoxy]phenyl]methylideneamino]-2-methoxybenzamide (CID 5213749) is 5-bromo-N-[[2-[(3-bromophenyl)methoxy]phenyl]methylideneamino]-2-methoxybenzamide.
What is the SMILES notation for 5-bromo-N-[[2-[(3-bromophenyl)methoxy]phenyl]methylideneamino]-2-methoxybenzamide?
The canonical SMILES for 5-bromo-N-[[2-[(3-bromophenyl)methoxy]phenyl]methylideneamino]-2-methoxybenzamide is COc1ccc(Br)cc1C(=O)NN=Cc1ccccc1OCc1cccc(Br)c1.
What is the InChIKey of 5-bromo-N-[[2-[(3-bromophenyl)methoxy]phenyl]methylideneamino]-2-methoxybenzamide?
The InChIKey is SCYHNEKMSZEWSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18Br2N2O3/c1-28-21-10-9-18(24)12-19(21)22(27)26-25-13-16-6-2-3-8-20(16)29-14-15-5-4-7-17(23)11-15/h2-13H,14H2,1H3,(H,26,27).
What are the key properties of 5-bromo-N-[[2-[(3-bromophenyl)methoxy]phenyl]methylideneamino]-2-methoxybenzamide?
5-bromo-N-[[2-[(3-bromophenyl)methoxy]phenyl]methylideneamino]-2-methoxybenzamide has a molecular weight of 518.21 g/mol, XLogP of 5.56, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[[2-[(3-bromophenyl)methoxy]phenyl]methylideneamino]-2-methoxybenzamide is sourced from PubChem (CID 5213749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).