3-bromo-N-[(4-phenylphenyl)methylideneamino]benzamide

C20H15BrN2O — CID 2828054

IUPAC3-bromo-N-[(4-phenylphenyl)methylideneamino]benzamide
SMILESO=C(NN=Cc1ccc(-c2ccccc2)cc1)c1cccc(Br)c1
InChIInChI=1S/C20H15BrN2O/c21-19-8-4-7-18(13-19)20(24)23-22-14-15-9-11-17(12-10-15)16-5-2-1-3-6-16/h1-14H,(H,23,24)
InChIKeyQLJTUPLMGIRPRF-UHFFFAOYSA-N
MW379.26 g/mol
LogP4.88
Rot. Bonds4

About 3-bromo-N-[(4-phenylphenyl)methylideneamino]benzamide

3-bromo-N-[(4-phenylphenyl)methylideneamino]benzamide (PubChem CID 2828054) has the molecular formula C20H15BrN2O and a molecular weight of 379.26 g/mol. Its IUPAC name is 3-bromo-N-[(4-phenylphenyl)methylideneamino]benzamide.

Molecular Properties

Compound Name3-bromo-N-[(4-phenylphenyl)methylideneamino]benzamide
PubChem CID2828054
Molecular FormulaC20H15BrN2O
Molecular Weight379.26 g/mol
Exact Mass378.04
IUPAC Name3-bromo-N-[(4-phenylphenyl)methylideneamino]benzamide
SMILESO=C(NN=Cc1ccc(-c2ccccc2)cc1)c1cccc(Br)c1
InChIInChI=1S/C20H15BrN2O/c21-19-8-4-7-18(13-19)20(24)23-22-14-15-9-11-17(12-10-15)16-5-2-1-3-6-16/h1-14H,(H,23,24)
InChIKeyQLJTUPLMGIRPRF-UHFFFAOYSA-N
XLogP4.88
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.26
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

3-bromo-N-[(E)-pyridin-4-ylmethylideneamino]benzamide
CID 6870510
2-[4-[[(3-bromobenzoyl)hydrazinylidene]methyl]phenoxy]acetic acid
CID 5154612
N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-4-phenylbenzamide
CID 135738438
N-[(Z)-(4-hydroxyphenyl)methylideneamino]-4-phenylbenzamide
CID 136661498
3-bromo-N-[(2-iodophenyl)methylideneamino]benzamide
CID 3586825
N-[(3-bromophenyl)methylideneamino]-3-hydroxybenzamide
CID 2695972
[4-[[(3-bromobenzoyl)hydrazinylidene]methyl]phenyl] 2-fluorobenzoate
CID 3344650
N-[(E)-(3-bromophenyl)methylideneamino]-3-fluorobenzamide
CID 5332626
N-[(E)-benzylideneamino]-3-hydroxybenzamide
CID 6869110
[4-[(Z)-[(3-bromobenzoyl)hydrazinylidene]methyl]phenyl] 4-methylbenzenesulfonate
CID 6001808
3-bromo-N-[(Z)-[4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]benzamide
CID 41168201
3-bromo-N-[(2,6-dichlorophenyl)methylideneamino]benzamide
CID 1103001

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[(4-phenylphenyl)methylideneamino]benzamide?
The IUPAC name of 3-bromo-N-[(4-phenylphenyl)methylideneamino]benzamide (CID 2828054) is 3-bromo-N-[(4-phenylphenyl)methylideneamino]benzamide.
What is the SMILES notation for 3-bromo-N-[(4-phenylphenyl)methylideneamino]benzamide?
The canonical SMILES for 3-bromo-N-[(4-phenylphenyl)methylideneamino]benzamide is O=C(NN=Cc1ccc(-c2ccccc2)cc1)c1cccc(Br)c1.
What is the InChIKey of 3-bromo-N-[(4-phenylphenyl)methylideneamino]benzamide?
The InChIKey is QLJTUPLMGIRPRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15BrN2O/c21-19-8-4-7-18(13-19)20(24)23-22-14-15-9-11-17(12-10-15)16-5-2-1-3-6-16/h1-14H,(H,23,24).
What are the key properties of 3-bromo-N-[(4-phenylphenyl)methylideneamino]benzamide?
3-bromo-N-[(4-phenylphenyl)methylideneamino]benzamide has a molecular weight of 379.26 g/mol, XLogP of 4.88, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[(4-phenylphenyl)methylideneamino]benzamide is sourced from PubChem (CID 2828054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).