3-bromo-N-[2-(2-chloroanilino)-2-oxoethyl]-5-fluoro-N-methylbenzamide

C16H13BrClFN2O2 — CID 46472425

IUPAC3-bromo-N-[2-(2-chloroanilino)-2-oxoethyl]-5-fluoro-N-methylbenzamide
SMILESCN(CC(=O)Nc1ccccc1Cl)C(=O)c1cc(F)cc(Br)c1
InChIInChI=1S/C16H13BrClFN2O2/c1-21(16(23)10-6-11(17)8-12(19)7-10)9-15(22)20-14-5-3-2-4-13(14)18/h2-8H,9H2,1H3,(H,20,22)
InChIKeyYEMACLWQNKQNPS-UHFFFAOYSA-N
MW399.65 g/mol
LogP3.95
Rot. Bonds4

About 3-bromo-N-[2-(2-chloroanilino)-2-oxoethyl]-5-fluoro-N-methylbenzamide

3-bromo-N-[2-(2-chloroanilino)-2-oxoethyl]-5-fluoro-N-methylbenzamide (PubChem CID 46472425) has the molecular formula C16H13BrClFN2O2 and a molecular weight of 399.65 g/mol. Its IUPAC name is 3-bromo-N-[2-(2-chloroanilino)-2-oxoethyl]-5-fluoro-N-methylbenzamide.

Molecular Properties

Compound Name3-bromo-N-[2-(2-chloroanilino)-2-oxoethyl]-5-fluoro-N-methylbenzamide
PubChem CID46472425
Molecular FormulaC16H13BrClFN2O2
Molecular Weight399.65 g/mol
Exact Mass397.98
IUPAC Name3-bromo-N-[2-(2-chloroanilino)-2-oxoethyl]-5-fluoro-N-methylbenzamide
SMILESCN(CC(=O)Nc1ccccc1Cl)C(=O)c1cc(F)cc(Br)c1
InChIInChI=1S/C16H13BrClFN2O2/c1-21(16(23)10-6-11(17)8-12(19)7-10)9-15(22)20-14-5-3-2-4-13(14)18/h2-8H,9H2,1H3,(H,20,22)
InChIKeyYEMACLWQNKQNPS-UHFFFAOYSA-N
XLogP3.95
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.65
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-bromo-N-[2-(2-chloroanilino)-2-oxoethyl]-5-fluoro-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-bromo-N-[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]-5-fluoro-N-methylbenzamide
CID 55706960
2,4-dichloro-N-[2-(2-chloroanilino)-2-oxoethyl]-5-fluoro-N-methylbenzamide
CID 38660284
methyl 3-[[2-(2-chloroanilino)-2-oxoethyl]-methylcarbamoyl]benzoate
CID 55789119
N-[2-(2-chloroanilino)-2-oxoethyl]-N-methyl-4-nitrobenzamide
CID 4875964
N-[2-(2-chloroanilino)-2-oxoethyl]-5-iodo-N-methylthiophene-3-carboxamide
CID 78949699
3,5-dichloro-N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]benzamide
CID 9417026
N-[2-(2-chloroanilino)-2-oxoethyl]-2-(3-fluorophenyl)-N-methylacetamide
CID 38632222
N-[2-(2-chloroanilino)-2-oxoethyl]-4-[(2-cyanoacetyl)amino]-N-methylbenzamide
CID 9409794
N-[2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]-2-fluorobenzamide
CID 9409680
3,5-dichloro-N-[2-(2-ethylanilino)-2-oxoethyl]-4-methoxy-N-methylbenzamide
CID 9378681
N-[2-(2-chloroanilino)-2-oxoethyl]-N,2,2-trimethylpropanamide
CID 31971689
N-[2-(2-chloroanilino)-2-oxoethyl]-N-methyl-1-benzothiophene-2-carboxamide
CID 38660045

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[2-(2-chloroanilino)-2-oxoethyl]-5-fluoro-N-methylbenzamide?
The IUPAC name of 3-bromo-N-[2-(2-chloroanilino)-2-oxoethyl]-5-fluoro-N-methylbenzamide (CID 46472425) is 3-bromo-N-[2-(2-chloroanilino)-2-oxoethyl]-5-fluoro-N-methylbenzamide.
What is the SMILES notation for 3-bromo-N-[2-(2-chloroanilino)-2-oxoethyl]-5-fluoro-N-methylbenzamide?
The canonical SMILES for 3-bromo-N-[2-(2-chloroanilino)-2-oxoethyl]-5-fluoro-N-methylbenzamide is CN(CC(=O)Nc1ccccc1Cl)C(=O)c1cc(F)cc(Br)c1.
What is the InChIKey of 3-bromo-N-[2-(2-chloroanilino)-2-oxoethyl]-5-fluoro-N-methylbenzamide?
The InChIKey is YEMACLWQNKQNPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrClFN2O2/c1-21(16(23)10-6-11(17)8-12(19)7-10)9-15(22)20-14-5-3-2-4-13(14)18/h2-8H,9H2,1H3,(H,20,22).
What are the key properties of 3-bromo-N-[2-(2-chloroanilino)-2-oxoethyl]-5-fluoro-N-methylbenzamide?
3-bromo-N-[2-(2-chloroanilino)-2-oxoethyl]-5-fluoro-N-methylbenzamide has a molecular weight of 399.65 g/mol, XLogP of 3.95, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[2-(2-chloroanilino)-2-oxoethyl]-5-fluoro-N-methylbenzamide is sourced from PubChem (CID 46472425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).