N-(2-aminophenyl)-3-bromo-4-chloro-N-ethylbenzamide

C15H14BrClN2O — CID 107997593

IUPACN-(2-aminophenyl)-3-bromo-4-chloro-N-ethylbenzamide
SMILESCCN(C(=O)c1ccc(Cl)c(Br)c1)c1ccccc1N
InChIInChI=1S/C15H14BrClN2O/c1-2-19(14-6-4-3-5-13(14)18)15(20)10-7-8-12(17)11(16)9-10/h3-9H,2,18H2,1H3
InChIKeyVIGLUEAVSWKDJK-UHFFFAOYSA-N
MW353.65 g/mol
LogP4.35
Rot. Bonds3

About N-(2-aminophenyl)-3-bromo-4-chloro-N-ethylbenzamide

N-(2-aminophenyl)-3-bromo-4-chloro-N-ethylbenzamide (PubChem CID 107997593) has the molecular formula C15H14BrClN2O and a molecular weight of 353.65 g/mol. Its IUPAC name is N-(2-aminophenyl)-3-bromo-4-chloro-N-ethylbenzamide.

Molecular Properties

Compound NameN-(2-aminophenyl)-3-bromo-4-chloro-N-ethylbenzamide
PubChem CID107997593
Molecular FormulaC15H14BrClN2O
Molecular Weight353.65 g/mol
Exact Mass352.00
IUPAC NameN-(2-aminophenyl)-3-bromo-4-chloro-N-ethylbenzamide
SMILESCCN(C(=O)c1ccc(Cl)c(Br)c1)c1ccccc1N
InChIInChI=1S/C15H14BrClN2O/c1-2-19(14-6-4-3-5-13(14)18)15(20)10-7-8-12(17)11(16)9-10/h3-9H,2,18H2,1H3
InChIKeyVIGLUEAVSWKDJK-UHFFFAOYSA-N
XLogP4.35
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.65
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-amino-4-bromo-N-ethyl-N-(2-methylphenyl)benzamide
CID 61091736
N-(2-aminophenyl)-N-ethyl-1,3-dihydro-2-benzofuran-5-carboxamide
CID 63732876
N-(2-aminophenyl)-3-chloro-4-methyl-N-propylbenzamide
CID 63230488
N-(2-aminophenyl)-N-ethyl-3-hydroxy-4-methoxybenzamide
CID 79737146
N-(2-aminophenyl)-N-ethyl-4-methoxybenzamide
CID 62101473
3-bromo-N-ethyl-4-methyl-N-(2-methylphenyl)benzamide
CID 79467562
3,4-dichloro-N-ethyl-N-naphthalen-1-ylbenzamide
CID 54499279
N-(2-aminophenyl)-4-chloro-3-fluoro-N-(2-hydroxyethyl)benzamide
CID 107997538
N-(2-aminophenyl)-4-chloro-N-ethyl-2,5-difluorobenzamide
CID 82772425
3-amino-4-bromo-N-ethyl-N-phenylbenzamide
CID 61090191
N-(2-aminophenyl)-5-chloro-N-ethylthiophene-2-carboxamide
CID 62276098
N-(2-aminophenyl)-4-bromo-N-ethyl-2-fluorobenzamide
CID 62101480

Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-3-bromo-4-chloro-N-ethylbenzamide?
The IUPAC name of N-(2-aminophenyl)-3-bromo-4-chloro-N-ethylbenzamide (CID 107997593) is N-(2-aminophenyl)-3-bromo-4-chloro-N-ethylbenzamide.
What is the SMILES notation for N-(2-aminophenyl)-3-bromo-4-chloro-N-ethylbenzamide?
The canonical SMILES for N-(2-aminophenyl)-3-bromo-4-chloro-N-ethylbenzamide is CCN(C(=O)c1ccc(Cl)c(Br)c1)c1ccccc1N.
What is the InChIKey of N-(2-aminophenyl)-3-bromo-4-chloro-N-ethylbenzamide?
The InChIKey is VIGLUEAVSWKDJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrClN2O/c1-2-19(14-6-4-3-5-13(14)18)15(20)10-7-8-12(17)11(16)9-10/h3-9H,2,18H2,1H3.
What are the key properties of N-(2-aminophenyl)-3-bromo-4-chloro-N-ethylbenzamide?
N-(2-aminophenyl)-3-bromo-4-chloro-N-ethylbenzamide has a molecular weight of 353.65 g/mol, XLogP of 4.35, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminophenyl)-3-bromo-4-chloro-N-ethylbenzamide is sourced from PubChem (CID 107997593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).