2-bromo-N-(2-cyanoethyl)-6-fluoro-N-methylbenzamide

C11H10BrFN2O — CID 115678772

IUPAC2-bromo-N-(2-cyanoethyl)-6-fluoro-N-methylbenzamide
SMILESCN(CCC#N)C(=O)c1c(F)cccc1Br
InChIInChI=1S/C11H10BrFN2O/c1-15(7-3-6-14)11(16)10-8(12)4-2-5-9(10)13/h2,4-5H,3,7H2,1H3
InChIKeyJWOPNPCFTKSPSN-UHFFFAOYSA-N
MW285.12 g/mol
LogP2.57
Rot. Bonds3

About 2-bromo-N-(2-cyanoethyl)-6-fluoro-N-methylbenzamide

2-bromo-N-(2-cyanoethyl)-6-fluoro-N-methylbenzamide (PubChem CID 115678772) has the molecular formula C11H10BrFN2O and a molecular weight of 285.12 g/mol. Its IUPAC name is 2-bromo-N-(2-cyanoethyl)-6-fluoro-N-methylbenzamide.

Molecular Properties

Compound Name2-bromo-N-(2-cyanoethyl)-6-fluoro-N-methylbenzamide
PubChem CID115678772
Molecular FormulaC11H10BrFN2O
Molecular Weight285.12 g/mol
Exact Mass284.00
IUPAC Name2-bromo-N-(2-cyanoethyl)-6-fluoro-N-methylbenzamide
SMILESCN(CCC#N)C(=O)c1c(F)cccc1Br
InChIInChI=1S/C11H10BrFN2O/c1-15(7-3-6-14)11(16)10-8(12)4-2-5-9(10)13/h2,4-5H,3,7H2,1H3
InChIKeyJWOPNPCFTKSPSN-UHFFFAOYSA-N
XLogP2.57
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.12
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-bromo-N-(2-cyanoethyl)-6-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

2-bromo-N-ethyl-6-fluoro-N-methylbenzamide
CID 115678344
methyl 3-[(2-bromo-6-fluorobenzoyl)-methylamino]propanoate
CID 115681679
N-(2-cyanoethyl)-2,4,6-trifluoro-N-methylbenzamide
CID 65098629
2-bromo-6-fluoro-N-[(2-fluorophenyl)methyl]-N-methylbenzamide
CID 115678174
2-bromo-N-[(2-bromophenyl)methyl]-6-fluoro-N-methylbenzamide
CID 114559308
2-bromo-6-fluoro-N-hydroxy-N-methylbenzamide
CID 130956774
2-bromo-N-(2-chloropropyl)-6-fluoro-N-methylbenzamide
CID 114561002
2-bromo-6-fluoro-N-[(2-hydroxyphenyl)methyl]-N-methylbenzamide
CID 115680864
N-benzyl-2-bromo-N-(cyanomethyl)-6-fluorobenzamide
CID 114559561
N-[(2Z)-2-amino-2-hydroxyiminoethyl]-2-bromo-6-fluoro-N-methylbenzamide
CID 114560773
2-bromo-6-fluoro-N-methyl-N-(piperidin-4-ylmethyl)benzamide
CID 114560252
N-(2-aminoethyl)-2,6-difluoro-N-methylbenzamide
CID 61350833

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(2-cyanoethyl)-6-fluoro-N-methylbenzamide?
The IUPAC name of 2-bromo-N-(2-cyanoethyl)-6-fluoro-N-methylbenzamide (CID 115678772) is 2-bromo-N-(2-cyanoethyl)-6-fluoro-N-methylbenzamide.
What is the SMILES notation for 2-bromo-N-(2-cyanoethyl)-6-fluoro-N-methylbenzamide?
The canonical SMILES for 2-bromo-N-(2-cyanoethyl)-6-fluoro-N-methylbenzamide is CN(CCC#N)C(=O)c1c(F)cccc1Br.
What is the InChIKey of 2-bromo-N-(2-cyanoethyl)-6-fluoro-N-methylbenzamide?
The InChIKey is JWOPNPCFTKSPSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrFN2O/c1-15(7-3-6-14)11(16)10-8(12)4-2-5-9(10)13/h2,4-5H,3,7H2,1H3.
What are the key properties of 2-bromo-N-(2-cyanoethyl)-6-fluoro-N-methylbenzamide?
2-bromo-N-(2-cyanoethyl)-6-fluoro-N-methylbenzamide has a molecular weight of 285.12 g/mol, XLogP of 2.57, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(2-cyanoethyl)-6-fluoro-N-methylbenzamide is sourced from PubChem (CID 115678772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).