2-amino-4-bromo-N-(2-bromo-5-methylphenyl)benzamide

C14H12Br2N2O — CID 82757217

IUPAC2-amino-4-bromo-N-(2-bromo-5-methylphenyl)benzamide
SMILESCc1ccc(Br)c(NC(=O)c2ccc(Br)cc2N)c1
InChIInChI=1S/C14H12Br2N2O/c1-8-2-5-11(16)13(6-8)18-14(19)10-4-3-9(15)7-12(10)17/h2-7H,17H2,1H3,(H,18,19)
InChIKeyZEAPJKHICCRPKJ-UHFFFAOYSA-N
MW384.07 g/mol
LogP4.35
Rot. Bonds2

About 2-amino-4-bromo-N-(2-bromo-5-methylphenyl)benzamide

2-amino-4-bromo-N-(2-bromo-5-methylphenyl)benzamide (PubChem CID 82757217) has the molecular formula C14H12Br2N2O and a molecular weight of 384.07 g/mol. Its IUPAC name is 2-amino-4-bromo-N-(2-bromo-5-methylphenyl)benzamide.

Molecular Properties

Compound Name2-amino-4-bromo-N-(2-bromo-5-methylphenyl)benzamide
PubChem CID82757217
Molecular FormulaC14H12Br2N2O
Molecular Weight384.07 g/mol
Exact Mass381.93
IUPAC Name2-amino-4-bromo-N-(2-bromo-5-methylphenyl)benzamide
SMILESCc1ccc(Br)c(NC(=O)c2ccc(Br)cc2N)c1
InChIInChI=1S/C14H12Br2N2O/c1-8-2-5-11(16)13(6-8)18-14(19)10-4-3-9(15)7-12(10)17/h2-7H,17H2,1H3,(H,18,19)
InChIKeyZEAPJKHICCRPKJ-UHFFFAOYSA-N
XLogP4.35
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.07
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-amino-5-bromo-N-(2-bromo-5-methylphenyl)-2-methylbenzamide
CID 107873022
4-bromo-N-(2-bromo-5-methylphenyl)-2-fluorobenzamide
CID 82707497
2-amino-N-(2,5-dibromophenyl)-4-methoxybenzamide
CID 115412703
N-(2-amino-4-bromophenyl)-2-hydroxy-4-methylbenzamide
CID 29008265
2,5-dibromo-N-(2,5-dimethylphenyl)benzamide
CID 114370020
2-amino-4-bromo-N-(4-hydroxy-2-methylphenyl)benzamide
CID 79723167
N-(2-bromo-5-methylphenyl)-2-hydrazinylbenzamide
CID 82758478
N-(2-bromo-5-methylphenyl)-2,4-difluorobenzamide
CID 82706445
2-amino-4-bromo-N-(2-bromo-4-chlorophenyl)benzamide
CID 81263873
3-amino-N-(2-bromo-5-methylphenyl)-4-methylbenzamide
CID 82761463
2-amino-4-bromo-N-(2-methyl-3-pyridinyl)benzamide
CID 79713450
5-amino-N-(2-bromo-5-methylphenyl)-2,3-dichlorobenzamide
CID 107185700

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-bromo-N-(2-bromo-5-methylphenyl)benzamide?
The IUPAC name of 2-amino-4-bromo-N-(2-bromo-5-methylphenyl)benzamide (CID 82757217) is 2-amino-4-bromo-N-(2-bromo-5-methylphenyl)benzamide.
What is the SMILES notation for 2-amino-4-bromo-N-(2-bromo-5-methylphenyl)benzamide?
The canonical SMILES for 2-amino-4-bromo-N-(2-bromo-5-methylphenyl)benzamide is Cc1ccc(Br)c(NC(=O)c2ccc(Br)cc2N)c1.
What is the InChIKey of 2-amino-4-bromo-N-(2-bromo-5-methylphenyl)benzamide?
The InChIKey is ZEAPJKHICCRPKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Br2N2O/c1-8-2-5-11(16)13(6-8)18-14(19)10-4-3-9(15)7-12(10)17/h2-7H,17H2,1H3,(H,18,19).
What are the key properties of 2-amino-4-bromo-N-(2-bromo-5-methylphenyl)benzamide?
2-amino-4-bromo-N-(2-bromo-5-methylphenyl)benzamide has a molecular weight of 384.07 g/mol, XLogP of 4.35, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-bromo-N-(2-bromo-5-methylphenyl)benzamide is sourced from PubChem (CID 82757217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).