3-amino-N-(4-bromo-2-methylphenyl)-4-ethoxybenzamide

C16H17BrN2O2 — CID 61091755

IUPAC3-amino-N-(4-bromo-2-methylphenyl)-4-ethoxybenzamide
SMILESCCOc1ccc(C(=O)Nc2ccc(Br)cc2C)cc1N
InChIInChI=1S/C16H17BrN2O2/c1-3-21-15-7-4-11(9-13(15)18)16(20)19-14-6-5-12(17)8-10(14)2/h4-9H,3,18H2,1-2H3,(H,19,20)
InChIKeyTVEGCUQOGRNNJQ-UHFFFAOYSA-N
MW349.23 g/mol
LogP3.99
Rot. Bonds4

About 3-amino-N-(4-bromo-2-methylphenyl)-4-ethoxybenzamide

3-amino-N-(4-bromo-2-methylphenyl)-4-ethoxybenzamide (PubChem CID 61091755) has the molecular formula C16H17BrN2O2 and a molecular weight of 349.23 g/mol. Its IUPAC name is 3-amino-N-(4-bromo-2-methylphenyl)-4-ethoxybenzamide.

Molecular Properties

Compound Name3-amino-N-(4-bromo-2-methylphenyl)-4-ethoxybenzamide
PubChem CID61091755
Molecular FormulaC16H17BrN2O2
Molecular Weight349.23 g/mol
Exact Mass348.05
IUPAC Name3-amino-N-(4-bromo-2-methylphenyl)-4-ethoxybenzamide
SMILESCCOc1ccc(C(=O)Nc2ccc(Br)cc2C)cc1N
InChIInChI=1S/C16H17BrN2O2/c1-3-21-15-7-4-11(9-13(15)18)16(20)19-14-6-5-12(17)8-10(14)2/h4-9H,3,18H2,1-2H3,(H,19,20)
InChIKeyTVEGCUQOGRNNJQ-UHFFFAOYSA-N
XLogP3.99
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.23
LogP ≤ 53.99
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

3-amino-N-(4-bromo-2-fluorophenyl)-4-ethoxybenzamide
CID 61090839
3-amino-N-(2,5-dibromophenyl)-4-ethoxybenzamide
CID 61466319
ethyl N-[4-[(4-bromo-2-methylphenyl)carbamoyl]phenyl]carbamate
CID 9159193
4-bromo-N-(4-ethoxy-2-methylphenyl)benzamide
CID 47267913
N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-3-ethoxy-4-propoxybenzamide
CID 26071019
N-[(4-bromo-2-methylphenyl)carbamothioyl]-3-chloro-4-ethoxybenzamide
CID 1016921
3-amino-N-[(4-bromophenyl)methyl]-4-ethoxybenzamide
CID 61090989
N-(4-bromo-2-methylphenyl)-3,4-dimethylbenzamide
CID 789005
3-amino-N-(2-ethoxy-5-methylphenyl)-4-methoxybenzamide
CID 91684337
3-amino-4-chloro-N-(4-ethoxy-2-methylphenyl)benzamide
CID 60928289
N-(2-amino-4-bromophenyl)-3,4-dimethoxybenzamide
CID 29008332
6-amino-N-(4-bromo-2-methylphenyl)pyridine-3-carboxamide
CID 62151975

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(4-bromo-2-methylphenyl)-4-ethoxybenzamide?
The IUPAC name of 3-amino-N-(4-bromo-2-methylphenyl)-4-ethoxybenzamide (CID 61091755) is 3-amino-N-(4-bromo-2-methylphenyl)-4-ethoxybenzamide.
What is the SMILES notation for 3-amino-N-(4-bromo-2-methylphenyl)-4-ethoxybenzamide?
The canonical SMILES for 3-amino-N-(4-bromo-2-methylphenyl)-4-ethoxybenzamide is CCOc1ccc(C(=O)Nc2ccc(Br)cc2C)cc1N.
What is the InChIKey of 3-amino-N-(4-bromo-2-methylphenyl)-4-ethoxybenzamide?
The InChIKey is TVEGCUQOGRNNJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrN2O2/c1-3-21-15-7-4-11(9-13(15)18)16(20)19-14-6-5-12(17)8-10(14)2/h4-9H,3,18H2,1-2H3,(H,19,20).
What are the key properties of 3-amino-N-(4-bromo-2-methylphenyl)-4-ethoxybenzamide?
3-amino-N-(4-bromo-2-methylphenyl)-4-ethoxybenzamide has a molecular weight of 349.23 g/mol, XLogP of 3.99, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(4-bromo-2-methylphenyl)-4-ethoxybenzamide is sourced from PubChem (CID 61091755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).