5-bromo-2-methoxy-N-[(Z)-(3-phenoxyphenyl)methylideneamino]benzamide

C21H17BrN2O3 — CID 94836303

IUPAC5-bromo-2-methoxy-N-[(Z)-(3-phenoxyphenyl)methylideneamino]benzamide
SMILESCOc1ccc(Br)cc1C(=O)N/N=C\c1cccc(Oc2ccccc2)c1
InChIInChI=1S/C21H17BrN2O3/c1-26-20-11-10-16(22)13-19(20)21(25)24-23-14-15-6-5-9-18(12-15)27-17-7-3-2-4-8-17/h2-14H,1H3,(H,24,25)/b23-14-
InChIKeyGRHRRJKJXPGFGB-UCQKPKSFSA-N
MW425.28 g/mol
LogP5.01
Rot. Bonds6

About 5-bromo-2-methoxy-N-[(Z)-(3-phenoxyphenyl)methylideneamino]benzamide

5-bromo-2-methoxy-N-[(Z)-(3-phenoxyphenyl)methylideneamino]benzamide (PubChem CID 94836303) has the molecular formula C21H17BrN2O3 and a molecular weight of 425.28 g/mol. Its IUPAC name is 5-bromo-2-methoxy-N-[(Z)-(3-phenoxyphenyl)methylideneamino]benzamide.

Molecular Properties

Compound Name5-bromo-2-methoxy-N-[(Z)-(3-phenoxyphenyl)methylideneamino]benzamide
PubChem CID94836303
Molecular FormulaC21H17BrN2O3
Molecular Weight425.28 g/mol
Exact Mass424.04
IUPAC Name5-bromo-2-methoxy-N-[(Z)-(3-phenoxyphenyl)methylideneamino]benzamide
SMILESCOc1ccc(Br)cc1C(=O)N/N=C\c1cccc(Oc2ccccc2)c1
InChIInChI=1S/C21H17BrN2O3/c1-26-20-11-10-16(22)13-19(20)21(25)24-23-14-15-6-5-9-18(12-15)27-17-7-3-2-4-8-17/h2-14H,1H3,(H,24,25)/b23-14-
InChIKeyGRHRRJKJXPGFGB-UCQKPKSFSA-N
XLogP5.01
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.28
LogP ≤ 55.01
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-[(3-methoxyphenyl)methylideneamino]-2-phenylmethoxybenzamide
CID 71960112
5-bromo-2-ethoxy-N-[(3-methoxyphenyl)methylideneamino]benzamide
CID 71960212
5-bromo-2-hydroxy-N-[(E)-(3-methoxyphenyl)methylideneamino]benzamide
CID 5335668
[4-[(E)-[(5-bromo-2-methoxybenzoyl)hydrazinylidene]methyl]-2-methoxyphenyl] benzoate
CID 6872836
[4-[(Z)-[(5-bromo-2-methoxybenzoyl)hydrazinylidene]methyl]-2-methoxyphenyl] benzoate
CID 5430839
2-amino-N-[(E)-(3-phenoxyphenyl)methylideneamino]benzamide
CID 110337163
4-hydroxy-3-methoxy-N-[(3-phenoxyphenyl)methylideneamino]benzamide
CID 24818461
N-[(E)-(3-phenoxyphenyl)methylideneamino]benzamide
CID 6870929
5-chloro-2-methoxy-N-[(E)-[3-[3-(trifluoromethyl)phenoxy]phenyl]methylideneamino]benzamide
CID 45109000
5-bromo-N-[(Z)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-methoxybenzamide
CID 136815793
4-bromo-N-[(E)-(3-methoxyphenyl)methylideneamino]benzamide
CID 6907430
5-bromo-2-methoxy-N-[(Z)-(3-methoxy-4-prop-2-enoxyphenyl)methylideneamino]benzamide
CID 6275932

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-methoxy-N-[(Z)-(3-phenoxyphenyl)methylideneamino]benzamide?
The IUPAC name of 5-bromo-2-methoxy-N-[(Z)-(3-phenoxyphenyl)methylideneamino]benzamide (CID 94836303) is 5-bromo-2-methoxy-N-[(Z)-(3-phenoxyphenyl)methylideneamino]benzamide.
What is the SMILES notation for 5-bromo-2-methoxy-N-[(Z)-(3-phenoxyphenyl)methylideneamino]benzamide?
The canonical SMILES for 5-bromo-2-methoxy-N-[(Z)-(3-phenoxyphenyl)methylideneamino]benzamide is COc1ccc(Br)cc1C(=O)N/N=C\c1cccc(Oc2ccccc2)c1.
What is the InChIKey of 5-bromo-2-methoxy-N-[(Z)-(3-phenoxyphenyl)methylideneamino]benzamide?
The InChIKey is GRHRRJKJXPGFGB-UCQKPKSFSA-N. The full InChI is InChI=1S/C21H17BrN2O3/c1-26-20-11-10-16(22)13-19(20)21(25)24-23-14-15-6-5-9-18(12-15)27-17-7-3-2-4-8-17/h2-14H,1H3,(H,24,25)/b23-14-.
What are the key properties of 5-bromo-2-methoxy-N-[(Z)-(3-phenoxyphenyl)methylideneamino]benzamide?
5-bromo-2-methoxy-N-[(Z)-(3-phenoxyphenyl)methylideneamino]benzamide has a molecular weight of 425.28 g/mol, XLogP of 5.01, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-methoxy-N-[(Z)-(3-phenoxyphenyl)methylideneamino]benzamide is sourced from PubChem (CID 94836303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).