3-bromo-N-[(2-chlorophenyl)methylideneamino]-4-methylbenzamide

C15H12BrClN2O — CID 5196692

IUPAC3-bromo-N-[(2-chlorophenyl)methylideneamino]-4-methylbenzamide
SMILESCc1ccc(C(=O)NN=Cc2ccccc2Cl)cc1Br
InChIInChI=1S/C15H12BrClN2O/c1-10-6-7-11(8-13(10)16)15(20)19-18-9-12-4-2-3-5-14(12)17/h2-9H,1H3,(H,19,20)
InChIKeyZOTRNOQXSCSNKA-UHFFFAOYSA-N
MW351.63 g/mol
LogP4.17
Rot. Bonds3

About 3-bromo-N-[(2-chlorophenyl)methylideneamino]-4-methylbenzamide

3-bromo-N-[(2-chlorophenyl)methylideneamino]-4-methylbenzamide (PubChem CID 5196692) has the molecular formula C15H12BrClN2O and a molecular weight of 351.63 g/mol. Its IUPAC name is 3-bromo-N-[(2-chlorophenyl)methylideneamino]-4-methylbenzamide.

Molecular Properties

Compound Name3-bromo-N-[(2-chlorophenyl)methylideneamino]-4-methylbenzamide
PubChem CID5196692
Molecular FormulaC15H12BrClN2O
Molecular Weight351.63 g/mol
Exact Mass349.98
IUPAC Name3-bromo-N-[(2-chlorophenyl)methylideneamino]-4-methylbenzamide
SMILESCc1ccc(C(=O)NN=Cc2ccccc2Cl)cc1Br
InChIInChI=1S/C15H12BrClN2O/c1-10-6-7-11(8-13(10)16)15(20)19-18-9-12-4-2-3-5-14(12)17/h2-9H,1H3,(H,19,20)
InChIKeyZOTRNOQXSCSNKA-UHFFFAOYSA-N
XLogP4.17
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.63
LogP ≤ 54.17
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-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-4-methylbenzamide
CID 5196693
3,4-dichloro-N-[(2-chlorophenyl)methylideneamino]benzamide
CID 780461
N-[(2-chlorophenyl)methylideneamino]-4-propan-2-ylbenzamide
CID 3705620
N-[(Z)-(2-chlorophenyl)methylideneamino]-3-iodobenzamide
CID 5435276
3-bromo-N-[(4-fluorophenyl)methylideneamino]-4-methylbenzamide
CID 922091
N-[(Z)-(2-bromophenyl)methylideneamino]-4-methyl-3-nitrobenzamide
CID 94847876
2-bromo-N-[(2-chlorophenyl)methylideneamino]benzamide
CID 4148800
N-[(Z)-(2-chlorophenyl)methylideneamino]-4-methoxybenzamide
CID 5404314
N-[(Z)-(2-chlorophenyl)methylideneamino]-4-(dimethylamino)benzamide
CID 6172930
N-[(Z)-(2-chlorophenyl)methylideneamino]-3-iodo-4-methoxybenzamide
CID 6117681
N-[(E)-(2-chlorophenyl)methylideneamino]-4-methylsulfonylbenzamide
CID 155806357
N-[(Z)-(2-chlorophenyl)methylideneamino]-4-propan-2-yloxybenzamide
CID 9215445

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[(2-chlorophenyl)methylideneamino]-4-methylbenzamide?
The IUPAC name of 3-bromo-N-[(2-chlorophenyl)methylideneamino]-4-methylbenzamide (CID 5196692) is 3-bromo-N-[(2-chlorophenyl)methylideneamino]-4-methylbenzamide.
What is the SMILES notation for 3-bromo-N-[(2-chlorophenyl)methylideneamino]-4-methylbenzamide?
The canonical SMILES for 3-bromo-N-[(2-chlorophenyl)methylideneamino]-4-methylbenzamide is Cc1ccc(C(=O)NN=Cc2ccccc2Cl)cc1Br.
What is the InChIKey of 3-bromo-N-[(2-chlorophenyl)methylideneamino]-4-methylbenzamide?
The InChIKey is ZOTRNOQXSCSNKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrClN2O/c1-10-6-7-11(8-13(10)16)15(20)19-18-9-12-4-2-3-5-14(12)17/h2-9H,1H3,(H,19,20).
What are the key properties of 3-bromo-N-[(2-chlorophenyl)methylideneamino]-4-methylbenzamide?
3-bromo-N-[(2-chlorophenyl)methylideneamino]-4-methylbenzamide has a molecular weight of 351.63 g/mol, XLogP of 4.17, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[(2-chlorophenyl)methylideneamino]-4-methylbenzamide is sourced from PubChem (CID 5196692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).