3-amino-4-bromo-N-(4-ethylphenyl)-N-methylbenzamide

C16H17BrN2O — CID 62003107

IUPAC3-amino-4-bromo-N-(4-ethylphenyl)-N-methylbenzamide
SMILESCCc1ccc(N(C)C(=O)c2ccc(Br)c(N)c2)cc1
InChIInChI=1S/C16H17BrN2O/c1-3-11-4-7-13(8-5-11)19(2)16(20)12-6-9-14(17)15(18)10-12/h4-10H,3,18H2,1-2H3
InChIKeyDBGSBJMDZPMRSQ-UHFFFAOYSA-N
MW333.23 g/mol
LogP3.87
Rot. Bonds3

About 3-amino-4-bromo-N-(4-ethylphenyl)-N-methylbenzamide

3-amino-4-bromo-N-(4-ethylphenyl)-N-methylbenzamide (PubChem CID 62003107) has the molecular formula C16H17BrN2O and a molecular weight of 333.23 g/mol. Its IUPAC name is 3-amino-4-bromo-N-(4-ethylphenyl)-N-methylbenzamide.

Molecular Properties

Compound Name3-amino-4-bromo-N-(4-ethylphenyl)-N-methylbenzamide
PubChem CID62003107
Molecular FormulaC16H17BrN2O
Molecular Weight333.23 g/mol
Exact Mass332.05
IUPAC Name3-amino-4-bromo-N-(4-ethylphenyl)-N-methylbenzamide
SMILESCCc1ccc(N(C)C(=O)c2ccc(Br)c(N)c2)cc1
InChIInChI=1S/C16H17BrN2O/c1-3-11-4-7-13(8-5-11)19(2)16(20)12-6-9-14(17)15(18)10-12/h4-10H,3,18H2,1-2H3
InChIKeyDBGSBJMDZPMRSQ-UHFFFAOYSA-N
XLogP3.87
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.23
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-amino-4-bromo-N-(4-ethylphenyl)-N-methylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-amino-N-(4-ethylphenyl)-4-methoxy-N-methylbenzamide
CID 62004047
N-(4-aminophenyl)-4-ethyl-N-methylbenzamide
CID 28894052
N-(4-ethylphenyl)-3,4-dihydroxy-N-methylbenzamide
CID 107728488
4-[(4-ethylphenyl)-methylcarbamoyl]benzoic acid
CID 62004416
3-amino-4-bromo-N-butan-2-yl-N-methylbenzamide
CID 61093398
N-[4-(aminomethyl)phenyl]-4-bromo-3-fluoro-N-methylbenzamide
CID 167871653
4-amino-3-bromo-N-(4-hydroxyphenyl)-N-methylbenzamide
CID 107734400
N-(4-ethylphenyl)-5-iodo-N-methylthiophene-3-carboxamide
CID 79692778
3-amino-4-bromo-N-methyl-N-pentylbenzamide
CID 61093599
3-amino-4-bromo-N-ethyl-N-phenylbenzamide
CID 61090191
2-amino-6-chloro-N-(4-ethylphenyl)-N-methylpyridine-4-carboxamide
CID 62161111
3-amino-N-(4-ethylphenyl)-5-methoxy-N-methylbenzamide
CID 81093516

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-bromo-N-(4-ethylphenyl)-N-methylbenzamide?
The IUPAC name of 3-amino-4-bromo-N-(4-ethylphenyl)-N-methylbenzamide (CID 62003107) is 3-amino-4-bromo-N-(4-ethylphenyl)-N-methylbenzamide.
What is the SMILES notation for 3-amino-4-bromo-N-(4-ethylphenyl)-N-methylbenzamide?
The canonical SMILES for 3-amino-4-bromo-N-(4-ethylphenyl)-N-methylbenzamide is CCc1ccc(N(C)C(=O)c2ccc(Br)c(N)c2)cc1.
What is the InChIKey of 3-amino-4-bromo-N-(4-ethylphenyl)-N-methylbenzamide?
The InChIKey is DBGSBJMDZPMRSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrN2O/c1-3-11-4-7-13(8-5-11)19(2)16(20)12-6-9-14(17)15(18)10-12/h4-10H,3,18H2,1-2H3.
What are the key properties of 3-amino-4-bromo-N-(4-ethylphenyl)-N-methylbenzamide?
3-amino-4-bromo-N-(4-ethylphenyl)-N-methylbenzamide has a molecular weight of 333.23 g/mol, XLogP of 3.87, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-bromo-N-(4-ethylphenyl)-N-methylbenzamide is sourced from PubChem (CID 62003107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).