3-amino-N-(2,4-dibromophenyl)-4-methylbenzamide

C14H12Br2N2O — CID 43702662

IUPAC3-amino-N-(2,4-dibromophenyl)-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2ccc(Br)cc2Br)cc1N
InChIInChI=1S/C14H12Br2N2O/c1-8-2-3-9(6-12(8)17)14(19)18-13-5-4-10(15)7-11(13)16/h2-7H,17H2,1H3,(H,18,19)
InChIKeyBLXUYNTZAPVOEA-UHFFFAOYSA-N
MW384.07 g/mol
LogP4.35
Rot. Bonds2

About 3-amino-N-(2,4-dibromophenyl)-4-methylbenzamide

3-amino-N-(2,4-dibromophenyl)-4-methylbenzamide (PubChem CID 43702662) has the molecular formula C14H12Br2N2O and a molecular weight of 384.07 g/mol. Its IUPAC name is 3-amino-N-(2,4-dibromophenyl)-4-methylbenzamide.

Molecular Properties

Compound Name3-amino-N-(2,4-dibromophenyl)-4-methylbenzamide
PubChem CID43702662
Molecular FormulaC14H12Br2N2O
Molecular Weight384.07 g/mol
Exact Mass381.93
IUPAC Name3-amino-N-(2,4-dibromophenyl)-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2ccc(Br)cc2Br)cc1N
InChIInChI=1S/C14H12Br2N2O/c1-8-2-3-9(6-12(8)17)14(19)18-13-5-4-10(15)7-11(13)16/h2-7H,17H2,1H3,(H,18,19)
InChIKeyBLXUYNTZAPVOEA-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

N-(2,4-dibromophenyl)-4-methylbenzamide
CID 2707201
3-amino-N-(2-bromo-5-methylphenyl)-4-methylbenzamide
CID 82761463
N-(5-amino-2-bromo-4-methylphenyl)-3-bromobenzamide
CID 104814581
N-(5-amino-2-bromo-4-methylphenyl)-3-hydroxy-4-methylbenzamide
CID 104814446
4-amino-N-(2-bromo-4-fluorophenyl)-3-methylbenzamide
CID 28938520
N-(4-bromo-2-methylphenyl)-3,4-dimethylbenzamide
CID 789005
4-amino-N-(2,4-dibromophenyl)-3-nitrobenzamide
CID 60628101
N-(4-amino-2-bromophenyl)-3-chloro-4-methylbenzamide
CID 63194298
3-bromo-N-(2,4-dibromophenyl)-4-fluorobenzamide
CID 107951894
4-amino-N-(5-bromo-2-fluorophenyl)-3-methylbenzamide
CID 43555167
3-amino-N-(2,4-difluorophenyl)-4-methylbenzamide
CID 16784210
4-amino-N-(2,4-dibromophenyl)-3,5-difluorobenzamide
CID 63185804

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2,4-dibromophenyl)-4-methylbenzamide?
The IUPAC name of 3-amino-N-(2,4-dibromophenyl)-4-methylbenzamide (CID 43702662) is 3-amino-N-(2,4-dibromophenyl)-4-methylbenzamide.
What is the SMILES notation for 3-amino-N-(2,4-dibromophenyl)-4-methylbenzamide?
The canonical SMILES for 3-amino-N-(2,4-dibromophenyl)-4-methylbenzamide is Cc1ccc(C(=O)Nc2ccc(Br)cc2Br)cc1N.
What is the InChIKey of 3-amino-N-(2,4-dibromophenyl)-4-methylbenzamide?
The InChIKey is BLXUYNTZAPVOEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Br2N2O/c1-8-2-3-9(6-12(8)17)14(19)18-13-5-4-10(15)7-11(13)16/h2-7H,17H2,1H3,(H,18,19).
What are the key properties of 3-amino-N-(2,4-dibromophenyl)-4-methylbenzamide?
3-amino-N-(2,4-dibromophenyl)-4-methylbenzamide 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 3-amino-N-(2,4-dibromophenyl)-4-methylbenzamide is sourced from PubChem (CID 43702662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).