4-[(3-bromophenyl)methoxy]-N-[(2-bromophenyl)methylideneamino]-3-methoxybenzamide

C22H18Br2N2O3 — CID 3400456

IUPAC4-[(3-bromophenyl)methoxy]-N-[(2-bromophenyl)methylideneamino]-3-methoxybenzamide
SMILESCOc1cc(C(=O)NN=Cc2ccccc2Br)ccc1OCc1cccc(Br)c1
InChIInChI=1S/C22H18Br2N2O3/c1-28-21-12-16(22(27)26-25-13-17-6-2-3-8-19(17)24)9-10-20(21)29-14-15-5-4-7-18(23)11-15/h2-13H,14H2,1H3,(H,26,27)
InChIKeyIYMRHBNJYFYJPN-UHFFFAOYSA-N
MW518.21 g/mol
LogP5.56
Rot. Bonds7

About 4-[(3-bromophenyl)methoxy]-N-[(2-bromophenyl)methylideneamino]-3-methoxybenzamide

4-[(3-bromophenyl)methoxy]-N-[(2-bromophenyl)methylideneamino]-3-methoxybenzamide (PubChem CID 3400456) has the molecular formula C22H18Br2N2O3 and a molecular weight of 518.21 g/mol. Its IUPAC name is 4-[(3-bromophenyl)methoxy]-N-[(2-bromophenyl)methylideneamino]-3-methoxybenzamide.

Molecular Properties

Compound Name4-[(3-bromophenyl)methoxy]-N-[(2-bromophenyl)methylideneamino]-3-methoxybenzamide
PubChem CID3400456
Molecular FormulaC22H18Br2N2O3
Molecular Weight518.21 g/mol
Exact Mass515.97
IUPAC Name4-[(3-bromophenyl)methoxy]-N-[(2-bromophenyl)methylideneamino]-3-methoxybenzamide
SMILESCOc1cc(C(=O)NN=Cc2ccccc2Br)ccc1OCc1cccc(Br)c1
InChIInChI=1S/C22H18Br2N2O3/c1-28-21-12-16(22(27)26-25-13-17-6-2-3-8-19(17)24)9-10-20(21)29-14-15-5-4-7-18(23)11-15/h2-13H,14H2,1H3,(H,26,27)
InChIKeyIYMRHBNJYFYJPN-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

5-bromo-N-[[2-[(3-bromophenyl)methoxy]phenyl]methylideneamino]-2-methoxybenzamide
CID 5213749
N-[(Z)-[2-[(3-bromophenyl)methoxy]phenyl]methylideneamino]benzamide
CID 6262708
3,4-dimethoxy-N-[(2-phenylmethoxyphenyl)methylideneamino]benzamide
CID 4923315
N-[(E)-(5-bromo-2-phenylmethoxyphenyl)methylideneamino]-3-methoxy-4-propoxybenzamide
CID 126338966
N-[(E)-[2-(2-amino-2-oxoethoxy)-5-bromophenyl]methylideneamino]-3-methoxy-4-phenylmethoxybenzamide
CID 126315510
N-[(E)-(5-bromo-2-prop-2-ynoxyphenyl)methylideneamino]-3-methoxy-4-phenylmethoxybenzamide
CID 126318158
N-[(E)-[5-bromo-2-[(4-bromophenyl)methoxy]phenyl]methylideneamino]-3,4-dimethoxybenzamide
CID 126328922
3-bromo-N-[(Z)-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]benzamide
CID 6034793
N-[(E)-[3,5-dibromo-2-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-3-methoxy-4-phenylmethoxybenzamide
CID 126334236
4-[(3-bromophenyl)methoxy]-N-[(E)-(2-hydroxyphenyl)methylideneamino]benzamide
CID 135601126
N-[(E)-[2-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]-3,4-dimethoxybenzamide
CID 126338184
4-[[2-[(E)-[(3,4-dimethoxybenzoyl)hydrazinylidene]methyl]phenoxy]methyl]benzoic acid
CID 126342942

Frequently Asked Questions

What is the IUPAC name of 4-[(3-bromophenyl)methoxy]-N-[(2-bromophenyl)methylideneamino]-3-methoxybenzamide?
The IUPAC name of 4-[(3-bromophenyl)methoxy]-N-[(2-bromophenyl)methylideneamino]-3-methoxybenzamide (CID 3400456) is 4-[(3-bromophenyl)methoxy]-N-[(2-bromophenyl)methylideneamino]-3-methoxybenzamide.
What is the SMILES notation for 4-[(3-bromophenyl)methoxy]-N-[(2-bromophenyl)methylideneamino]-3-methoxybenzamide?
The canonical SMILES for 4-[(3-bromophenyl)methoxy]-N-[(2-bromophenyl)methylideneamino]-3-methoxybenzamide is COc1cc(C(=O)NN=Cc2ccccc2Br)ccc1OCc1cccc(Br)c1.
What is the InChIKey of 4-[(3-bromophenyl)methoxy]-N-[(2-bromophenyl)methylideneamino]-3-methoxybenzamide?
The InChIKey is IYMRHBNJYFYJPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18Br2N2O3/c1-28-21-12-16(22(27)26-25-13-17-6-2-3-8-19(17)24)9-10-20(21)29-14-15-5-4-7-18(23)11-15/h2-13H,14H2,1H3,(H,26,27).
What are the key properties of 4-[(3-bromophenyl)methoxy]-N-[(2-bromophenyl)methylideneamino]-3-methoxybenzamide?
4-[(3-bromophenyl)methoxy]-N-[(2-bromophenyl)methylideneamino]-3-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 4-[(3-bromophenyl)methoxy]-N-[(2-bromophenyl)methylideneamino]-3-methoxybenzamide is sourced from PubChem (CID 3400456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).