5-amino-2-(4-bromo-3-methylanilino)benzamide

C14H14BrN3O — CID 61306866

IUPAC5-amino-2-(4-bromo-3-methylanilino)benzamide
SMILESCc1cc(Nc2ccc(N)cc2C(N)=O)ccc1Br
InChIInChI=1S/C14H14BrN3O/c1-8-6-10(3-4-12(8)15)18-13-5-2-9(16)7-11(13)14(17)19/h2-7,18H,16H2,1H3,(H2,17,19)
InChIKeyQEYWZPPCRJZLQZ-UHFFFAOYSA-N
MW320.19 g/mol
LogP3.18
Rot. Bonds3

About 5-amino-2-(4-bromo-3-methylanilino)benzamide

5-amino-2-(4-bromo-3-methylanilino)benzamide (PubChem CID 61306866) has the molecular formula C14H14BrN3O and a molecular weight of 320.19 g/mol. Its IUPAC name is 5-amino-2-(4-bromo-3-methylanilino)benzamide.

Molecular Properties

Compound Name5-amino-2-(4-bromo-3-methylanilino)benzamide
PubChem CID61306866
Molecular FormulaC14H14BrN3O
Molecular Weight320.19 g/mol
Exact Mass319.03
IUPAC Name5-amino-2-(4-bromo-3-methylanilino)benzamide
SMILESCc1cc(Nc2ccc(N)cc2C(N)=O)ccc1Br
InChIInChI=1S/C14H14BrN3O/c1-8-6-10(3-4-12(8)15)18-13-5-2-9(16)7-11(13)14(17)19/h2-7,18H,16H2,1H3,(H2,17,19)
InChIKeyQEYWZPPCRJZLQZ-UHFFFAOYSA-N
XLogP3.18
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.19
LogP ≤ 53.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-amino-2-(3,4-dimethylanilino)benzamide
CID 61307817
5-amino-2-(4-bromoanilino)benzamide
CID 55125298
5-amino-2-[(5-methyl-3-pyridinyl)amino]benzamide
CID 107586461
ethyl 5-amino-2-(3-bromo-4-methylanilino)benzoate
CID 63423036
2-amino-3-(4-bromo-3-methylanilino)benzoic acid
CID 113332421
5-amino-2-(4-propylanilino)benzamide
CID 61305335
methyl 5-amino-2-(4-bromo-3-chloroanilino)benzoate
CID 107615632
5-amino-2-(4-fluoro-3-methoxyanilino)benzamide
CID 114840634
4-amino-2-(4-bromo-3-methoxyanilino)benzamide
CID 82858027
2-amino-5-(4-bromo-3-methylanilino)benzoic acid
CID 60990156
5-amino-2-(5-bromo-2,4-difluoroanilino)benzamide
CID 102854796
4-amino-3-(4-bromo-3-methylanilino)benzoic acid
CID 82785938

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(4-bromo-3-methylanilino)benzamide?
The IUPAC name of 5-amino-2-(4-bromo-3-methylanilino)benzamide (CID 61306866) is 5-amino-2-(4-bromo-3-methylanilino)benzamide.
What is the SMILES notation for 5-amino-2-(4-bromo-3-methylanilino)benzamide?
The canonical SMILES for 5-amino-2-(4-bromo-3-methylanilino)benzamide is Cc1cc(Nc2ccc(N)cc2C(N)=O)ccc1Br.
What is the InChIKey of 5-amino-2-(4-bromo-3-methylanilino)benzamide?
The InChIKey is QEYWZPPCRJZLQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrN3O/c1-8-6-10(3-4-12(8)15)18-13-5-2-9(16)7-11(13)14(17)19/h2-7,18H,16H2,1H3,(H2,17,19).
What are the key properties of 5-amino-2-(4-bromo-3-methylanilino)benzamide?
5-amino-2-(4-bromo-3-methylanilino)benzamide has a molecular weight of 320.19 g/mol, XLogP of 3.18, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(4-bromo-3-methylanilino)benzamide is sourced from PubChem (CID 61306866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).