2-amino-5-bromo-N-[(3-methylphenyl)methylideneamino]benzamide

C15H14BrN3O — CID 67494279

IUPAC2-amino-5-bromo-N-[(3-methylphenyl)methylideneamino]benzamide
SMILESCc1cccc(C=NNC(=O)c2cc(Br)ccc2N)c1
InChIInChI=1S/C15H14BrN3O/c1-10-3-2-4-11(7-10)9-18-19-15(20)13-8-12(16)5-6-14(13)17/h2-9H,17H2,1H3,(H,19,20)
InChIKeyGDAJJFNMLXVQRD-UHFFFAOYSA-N
MW332.20 g/mol
LogP3.10
Rot. Bonds3

About 2-amino-5-bromo-N-[(3-methylphenyl)methylideneamino]benzamide

2-amino-5-bromo-N-[(3-methylphenyl)methylideneamino]benzamide (PubChem CID 67494279) has the molecular formula C15H14BrN3O and a molecular weight of 332.20 g/mol. Its IUPAC name is 2-amino-5-bromo-N-[(3-methylphenyl)methylideneamino]benzamide.

Molecular Properties

Compound Name2-amino-5-bromo-N-[(3-methylphenyl)methylideneamino]benzamide
PubChem CID67494279
Molecular FormulaC15H14BrN3O
Molecular Weight332.20 g/mol
Exact Mass331.03
IUPAC Name2-amino-5-bromo-N-[(3-methylphenyl)methylideneamino]benzamide
SMILESCc1cccc(C=NNC(=O)c2cc(Br)ccc2N)c1
InChIInChI=1S/C15H14BrN3O/c1-10-3-2-4-11(7-10)9-18-19-15(20)13-8-12(16)5-6-14(13)17/h2-9H,17H2,1H3,(H,19,20)
InChIKeyGDAJJFNMLXVQRD-UHFFFAOYSA-N
XLogP3.10
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.20
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-amino-N-[(E)-(3-methylphenyl)methylideneamino]benzamide
CID 87421764
4-bromo-N-[(E)-(3-methylphenyl)methylideneamino]benzamide
CID 5332246
4-bromo-N-[(Z)-(3-methylphenyl)methylideneamino]benzamide
CID 5407444
N-[4-bromo-2-[[(3-methylphenyl)methylideneamino]carbamoyl]phenyl]pyridine-4-carboxamide
CID 66638175
5-bromo-2-[(3,5-dimethoxybenzoyl)amino]-N-[(E)-(3-methylphenyl)methylideneamino]benzamide
CID 23107445
3-methyl-N-[(Z)-(3-methylphenyl)methylideneamino]benzamide
CID 5394581
2-fluoro-N-[(E)-(3-methylphenyl)methylideneamino]benzamide
CID 6907981
N-[(3-bromophenyl)methylideneamino]-2-methylbenzamide
CID 4129922
2,5-dimethyl-N-[(E)-(3-methylphenyl)methylideneamino]furan-3-carboxamide
CID 6893777
4-bromo-2-N-[(4-methylphenyl)methylideneamino]benzene-1,2-dicarboxamide
CID 67494163
3,5-dihydroxy-N-[(Z)-(3-methylphenyl)methylideneamino]benzamide
CID 5407507
5-bromo-2-hydroxy-N-[(4-methylphenyl)methylideneamino]benzamide
CID 867247

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-bromo-N-[(3-methylphenyl)methylideneamino]benzamide?
The IUPAC name of 2-amino-5-bromo-N-[(3-methylphenyl)methylideneamino]benzamide (CID 67494279) is 2-amino-5-bromo-N-[(3-methylphenyl)methylideneamino]benzamide.
What is the SMILES notation for 2-amino-5-bromo-N-[(3-methylphenyl)methylideneamino]benzamide?
The canonical SMILES for 2-amino-5-bromo-N-[(3-methylphenyl)methylideneamino]benzamide is Cc1cccc(C=NNC(=O)c2cc(Br)ccc2N)c1.
What is the InChIKey of 2-amino-5-bromo-N-[(3-methylphenyl)methylideneamino]benzamide?
The InChIKey is GDAJJFNMLXVQRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrN3O/c1-10-3-2-4-11(7-10)9-18-19-15(20)13-8-12(16)5-6-14(13)17/h2-9H,17H2,1H3,(H,19,20).
What are the key properties of 2-amino-5-bromo-N-[(3-methylphenyl)methylideneamino]benzamide?
2-amino-5-bromo-N-[(3-methylphenyl)methylideneamino]benzamide has a molecular weight of 332.20 g/mol, XLogP of 3.10, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-bromo-N-[(3-methylphenyl)methylideneamino]benzamide is sourced from PubChem (CID 67494279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).