3-amino-N-(4-bromo-2-ethylphenyl)-4,5-dichlorobenzamide

C15H13BrCl2N2O — CID 81289576

IUPAC3-amino-N-(4-bromo-2-ethylphenyl)-4,5-dichlorobenzamide
SMILESCCc1cc(Br)ccc1NC(=O)c1cc(N)c(Cl)c(Cl)c1
InChIInChI=1S/C15H13BrCl2N2O/c1-2-8-5-10(16)3-4-13(8)20-15(21)9-6-11(17)14(18)12(19)7-9/h3-7H,2,19H2,1H3,(H,20,21)
InChIKeyARQFLWKRDLJNRA-UHFFFAOYSA-N
MW388.09 g/mol
LogP5.15
Rot. Bonds3

About 3-amino-N-(4-bromo-2-ethylphenyl)-4,5-dichlorobenzamide

3-amino-N-(4-bromo-2-ethylphenyl)-4,5-dichlorobenzamide (PubChem CID 81289576) has the molecular formula C15H13BrCl2N2O and a molecular weight of 388.09 g/mol. Its IUPAC name is 3-amino-N-(4-bromo-2-ethylphenyl)-4,5-dichlorobenzamide.

Molecular Properties

Compound Name3-amino-N-(4-bromo-2-ethylphenyl)-4,5-dichlorobenzamide
PubChem CID81289576
Molecular FormulaC15H13BrCl2N2O
Molecular Weight388.09 g/mol
Exact Mass385.96
IUPAC Name3-amino-N-(4-bromo-2-ethylphenyl)-4,5-dichlorobenzamide
SMILESCCc1cc(Br)ccc1NC(=O)c1cc(N)c(Cl)c(Cl)c1
InChIInChI=1S/C15H13BrCl2N2O/c1-2-8-5-10(16)3-4-13(8)20-15(21)9-6-11(17)14(18)12(19)7-9/h3-7H,2,19H2,1H3,(H,20,21)
InChIKeyARQFLWKRDLJNRA-UHFFFAOYSA-N
XLogP5.15
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.09
LogP ≤ 55.15
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-N-(5-bromo-2-chlorophenyl)-4,5-dichlorobenzamide
CID 62915199
3-amino-N-(4-bromo-2-cyanophenyl)-4,5-dichlorobenzamide
CID 82692123
N-(4-bromo-2-ethylphenyl)-2-chloro-6-(methylamino)pyridine-4-carboxamide
CID 80999398
3-amino-4,5-dichloro-N-(2-methylphenyl)benzamide
CID 61090802
3-amino-N-(2-bromo-5-fluorophenyl)-4,5-dichlorobenzamide
CID 107624291
N-(4-bromo-2-ethylphenyl)thiophene-3-carboxamide
CID 81003337
3-amino-4,5-dichloro-N-(2,4-difluorophenyl)benzamide
CID 61090403
N-(4-bromo-2-ethylphenyl)-3-chloro-2-methylbenzamide
CID 107096920
N-(4-bromo-2-ethylphenyl)-3-hydroxy-4-iodobenzamide
CID 104629754
3-amino-N-(4-bromo-2-chlorophenyl)-5-fluoro-4-methylbenzamide
CID 60862528
N-(4-bromo-2-ethylphenyl)-3-fluoro-4-methylbenzamide
CID 81291060
1-(4-bromo-2-chlorophenyl)-3-(4-bromo-2-ethylphenyl)thiourea
CID 19687725

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(4-bromo-2-ethylphenyl)-4,5-dichlorobenzamide?
The IUPAC name of 3-amino-N-(4-bromo-2-ethylphenyl)-4,5-dichlorobenzamide (CID 81289576) is 3-amino-N-(4-bromo-2-ethylphenyl)-4,5-dichlorobenzamide.
What is the SMILES notation for 3-amino-N-(4-bromo-2-ethylphenyl)-4,5-dichlorobenzamide?
The canonical SMILES for 3-amino-N-(4-bromo-2-ethylphenyl)-4,5-dichlorobenzamide is CCc1cc(Br)ccc1NC(=O)c1cc(N)c(Cl)c(Cl)c1.
What is the InChIKey of 3-amino-N-(4-bromo-2-ethylphenyl)-4,5-dichlorobenzamide?
The InChIKey is ARQFLWKRDLJNRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrCl2N2O/c1-2-8-5-10(16)3-4-13(8)20-15(21)9-6-11(17)14(18)12(19)7-9/h3-7H,2,19H2,1H3,(H,20,21).
What are the key properties of 3-amino-N-(4-bromo-2-ethylphenyl)-4,5-dichlorobenzamide?
3-amino-N-(4-bromo-2-ethylphenyl)-4,5-dichlorobenzamide has a molecular weight of 388.09 g/mol, XLogP of 5.15, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(4-bromo-2-ethylphenyl)-4,5-dichlorobenzamide is sourced from PubChem (CID 81289576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).