N-[(5-bromo-2-methoxyphenyl)methylideneamino]-4-phenylbenzamide

C21H17BrN2O2 — CID 5066879

IUPACN-[(5-bromo-2-methoxyphenyl)methylideneamino]-4-phenylbenzamide
SMILESCOc1ccc(Br)cc1C=NNC(=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C21H17BrN2O2/c1-26-20-12-11-19(22)13-18(20)14-23-24-21(25)17-9-7-16(8-10-17)15-5-3-2-4-6-15/h2-14H,1H3,(H,24,25)
InChIKeyKKFLBKQECYWUBV-UHFFFAOYSA-N
MW409.28 g/mol
LogP4.89
Rot. Bonds5

About N-[(5-bromo-2-methoxyphenyl)methylideneamino]-4-phenylbenzamide

N-[(5-bromo-2-methoxyphenyl)methylideneamino]-4-phenylbenzamide (PubChem CID 5066879) has the molecular formula C21H17BrN2O2 and a molecular weight of 409.28 g/mol. Its IUPAC name is N-[(5-bromo-2-methoxyphenyl)methylideneamino]-4-phenylbenzamide.

Molecular Properties

Compound NameN-[(5-bromo-2-methoxyphenyl)methylideneamino]-4-phenylbenzamide
PubChem CID5066879
Molecular FormulaC21H17BrN2O2
Molecular Weight409.28 g/mol
Exact Mass408.05
IUPAC NameN-[(5-bromo-2-methoxyphenyl)methylideneamino]-4-phenylbenzamide
SMILESCOc1ccc(Br)cc1C=NNC(=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C21H17BrN2O2/c1-26-20-12-11-19(22)13-18(20)14-23-24-21(25)17-9-7-16(8-10-17)15-5-3-2-4-6-15/h2-14H,1H3,(H,24,25)
InChIKeyKKFLBKQECYWUBV-UHFFFAOYSA-N
XLogP4.89
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.28
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

1-N-[(E)-(5-bromo-2-methoxyphenyl)methylideneamino]-4-N-hydroxybenzene-1,4-dicarboxamide
CID 44507819
3-bromo-N-[(5-bromo-2-methoxyphenyl)methylideneamino]benzamide
CID 1245790
4-phenyl-N-[(2,4,5-trimethoxyphenyl)methylideneamino]benzamide
CID 3501852
N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-4-phenylbenzamide
CID 135738438
4-bromo-N-[(Z)-(2-methoxyphenyl)methylideneamino]benzamide
CID 5404678
[4-bromo-2-[[(3,4-dimethoxybenzoyl)hydrazinylidene]methyl]phenyl] benzoate
CID 4598827
[2-[(Z)-(benzoylhydrazinylidene)methyl]-4-bromophenyl] benzoate
CID 6146613
N-[(Z)-(5-bromo-2-hydroxy-3-methoxyphenyl)methylideneamino]benzamide
CID 136912832
N-[(3,4-dimethoxyphenyl)methylideneamino]-4-phenylbenzamide
CID 5064739
N-[(Z)-(5-bromo-2-methoxyphenyl)methylideneamino]-2-fluorobenzamide
CID 6009117
N-[(Z)-(5-bromo-2-methoxyphenyl)methylideneamino]-2-iodobenzamide
CID 6158921
N-[(5-bromo-2-methoxyphenyl)methylideneamino]-4-[(4-methylphenyl)methoxy]benzamide
CID 3797767

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-2-methoxyphenyl)methylideneamino]-4-phenylbenzamide?
The IUPAC name of N-[(5-bromo-2-methoxyphenyl)methylideneamino]-4-phenylbenzamide (CID 5066879) is N-[(5-bromo-2-methoxyphenyl)methylideneamino]-4-phenylbenzamide.
What is the SMILES notation for N-[(5-bromo-2-methoxyphenyl)methylideneamino]-4-phenylbenzamide?
The canonical SMILES for N-[(5-bromo-2-methoxyphenyl)methylideneamino]-4-phenylbenzamide is COc1ccc(Br)cc1C=NNC(=O)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of N-[(5-bromo-2-methoxyphenyl)methylideneamino]-4-phenylbenzamide?
The InChIKey is KKFLBKQECYWUBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17BrN2O2/c1-26-20-12-11-19(22)13-18(20)14-23-24-21(25)17-9-7-16(8-10-17)15-5-3-2-4-6-15/h2-14H,1H3,(H,24,25).
What are the key properties of N-[(5-bromo-2-methoxyphenyl)methylideneamino]-4-phenylbenzamide?
N-[(5-bromo-2-methoxyphenyl)methylideneamino]-4-phenylbenzamide has a molecular weight of 409.28 g/mol, XLogP of 4.89, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromo-2-methoxyphenyl)methylideneamino]-4-phenylbenzamide is sourced from PubChem (CID 5066879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).