3-amino-4-bromo-N-(5-chloro-2-ethoxyphenyl)benzamide

C15H14BrClN2O2 — CID 61102222

IUPAC3-amino-4-bromo-N-(5-chloro-2-ethoxyphenyl)benzamide
SMILESCCOc1ccc(Cl)cc1NC(=O)c1ccc(Br)c(N)c1
InChIInChI=1S/C15H14BrClN2O2/c1-2-21-14-6-4-10(17)8-13(14)19-15(20)9-3-5-11(16)12(18)7-9/h3-8H,2,18H2,1H3,(H,19,20)
InChIKeyBMVBGJDFNHUKLU-UHFFFAOYSA-N
MW369.65 g/mol
LogP4.34
Rot. Bonds4

About 3-amino-4-bromo-N-(5-chloro-2-ethoxyphenyl)benzamide

3-amino-4-bromo-N-(5-chloro-2-ethoxyphenyl)benzamide (PubChem CID 61102222) has the molecular formula C15H14BrClN2O2 and a molecular weight of 369.65 g/mol. Its IUPAC name is 3-amino-4-bromo-N-(5-chloro-2-ethoxyphenyl)benzamide.

Molecular Properties

Compound Name3-amino-4-bromo-N-(5-chloro-2-ethoxyphenyl)benzamide
PubChem CID61102222
Molecular FormulaC15H14BrClN2O2
Molecular Weight369.65 g/mol
Exact Mass367.99
IUPAC Name3-amino-4-bromo-N-(5-chloro-2-ethoxyphenyl)benzamide
SMILESCCOc1ccc(Cl)cc1NC(=O)c1ccc(Br)c(N)c1
InChIInChI=1S/C15H14BrClN2O2/c1-2-21-14-6-4-10(17)8-13(14)19-15(20)9-3-5-11(16)12(18)7-9/h3-8H,2,18H2,1H3,(H,19,20)
InChIKeyBMVBGJDFNHUKLU-UHFFFAOYSA-N
XLogP4.34
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.65
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-4-bromo-N-(5-chloro-2-ethoxyphenyl)benzamide
CID 79703321
3-amino-N-(2,5-dibromophenyl)-4-ethoxybenzamide
CID 61466319
3-amino-4-bromo-N-[5-chloro-2-(dimethylamino)phenyl]benzamide
CID 107812913
N-(5-chloro-2-ethoxyphenyl)-3-iodobenzamide
CID 61061489
2-amino-N-(2-bromo-5-chlorophenyl)-6-ethoxybenzamide
CID 81394707
N-(5-chloro-2-ethoxyphenyl)-6-oxo-1H-pyridine-3-carboxamide
CID 47267865
4-amino-N-(2-bromo-5-chlorophenyl)-3-methylbenzamide
CID 81262936
2-bromo-N-(5-chloro-2-ethoxyphenyl)-4-fluorobenzamide
CID 55821778
3-amino-N-(4-bromo-2-fluorophenyl)-4-ethoxybenzamide
CID 61090839
3-amino-N-(2-ethoxy-5-methylphenyl)-4-methoxybenzamide
CID 91684337
5-amino-N-(5-chloro-2-ethoxyphenyl)-2-methylbenzamide
CID 61290409
N-(5-acetyl-2-ethoxyphenyl)-3-chlorobenzamide
CID 94763103

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-bromo-N-(5-chloro-2-ethoxyphenyl)benzamide?
The IUPAC name of 3-amino-4-bromo-N-(5-chloro-2-ethoxyphenyl)benzamide (CID 61102222) is 3-amino-4-bromo-N-(5-chloro-2-ethoxyphenyl)benzamide.
What is the SMILES notation for 3-amino-4-bromo-N-(5-chloro-2-ethoxyphenyl)benzamide?
The canonical SMILES for 3-amino-4-bromo-N-(5-chloro-2-ethoxyphenyl)benzamide is CCOc1ccc(Cl)cc1NC(=O)c1ccc(Br)c(N)c1.
What is the InChIKey of 3-amino-4-bromo-N-(5-chloro-2-ethoxyphenyl)benzamide?
The InChIKey is BMVBGJDFNHUKLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrClN2O2/c1-2-21-14-6-4-10(17)8-13(14)19-15(20)9-3-5-11(16)12(18)7-9/h3-8H,2,18H2,1H3,(H,19,20).
What are the key properties of 3-amino-4-bromo-N-(5-chloro-2-ethoxyphenyl)benzamide?
3-amino-4-bromo-N-(5-chloro-2-ethoxyphenyl)benzamide has a molecular weight of 369.65 g/mol, XLogP of 4.34, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-bromo-N-(5-chloro-2-ethoxyphenyl)benzamide is sourced from PubChem (CID 61102222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).