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

C11H12BrClFNO — CID 114561002

IUPAC2-bromo-N-(2-chloropropyl)-6-fluoro-N-methylbenzamide
SMILESCC(Cl)CN(C)C(=O)c1c(F)cccc1Br
InChIInChI=1S/C11H12BrClFNO/c1-7(13)6-15(2)11(16)10-8(12)4-3-5-9(10)14/h3-5,7H,6H2,1-2H3
InChIKeySJKJKZIDOFXATM-UHFFFAOYSA-N
MW308.58 g/mol
LogP3.29
Rot. Bonds3

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

2-bromo-N-(2-chloropropyl)-6-fluoro-N-methylbenzamide (PubChem CID 114561002) has the molecular formula C11H12BrClFNO and a molecular weight of 308.58 g/mol. Its IUPAC name is 2-bromo-N-(2-chloropropyl)-6-fluoro-N-methylbenzamide.

Molecular Properties

Compound Name2-bromo-N-(2-chloropropyl)-6-fluoro-N-methylbenzamide
PubChem CID114561002
Molecular FormulaC11H12BrClFNO
Molecular Weight308.58 g/mol
Exact Mass306.98
IUPAC Name2-bromo-N-(2-chloropropyl)-6-fluoro-N-methylbenzamide
SMILESCC(Cl)CN(C)C(=O)c1c(F)cccc1Br
InChIInChI=1S/C11H12BrClFNO/c1-7(13)6-15(2)11(16)10-8(12)4-3-5-9(10)14/h3-5,7H,6H2,1-2H3
InChIKeySJKJKZIDOFXATM-UHFFFAOYSA-N
XLogP3.29
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.58
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-N-ethyl-6-fluoro-N-methylbenzamide
CID 115678344
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
N-(2-bromopropyl)-2-fluoro-6-hydroxy-N-methylbenzamide
CID 107016757
2-bromo-6-fluoro-N-[(2-hydroxyphenyl)methyl]-N-methylbenzamide
CID 115680864
2-bromo-N-(2-cyanoethyl)-6-fluoro-N-methylbenzamide
CID 115678772
N-(2-amino-2-oxoethyl)-2-bromo-6-fluoro-N-propan-2-ylbenzamide
CID 115678505
4-bromo-N-(2-chloropropyl)-N-methylbenzamide
CID 63393521
N-[(2Z)-2-amino-2-hydroxyiminoethyl]-2-bromo-6-fluoro-N-methylbenzamide
CID 114560773
methyl 3-[(2-bromo-6-fluorobenzoyl)-methylamino]propanoate
CID 115681679
N-[(2-aminophenyl)methyl]-2-bromo-6-fluoro-N-methylbenzamide
CID 114558373

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(2-chloropropyl)-6-fluoro-N-methylbenzamide?
The IUPAC name of 2-bromo-N-(2-chloropropyl)-6-fluoro-N-methylbenzamide (CID 114561002) is 2-bromo-N-(2-chloropropyl)-6-fluoro-N-methylbenzamide.
What is the SMILES notation for 2-bromo-N-(2-chloropropyl)-6-fluoro-N-methylbenzamide?
The canonical SMILES for 2-bromo-N-(2-chloropropyl)-6-fluoro-N-methylbenzamide is CC(Cl)CN(C)C(=O)c1c(F)cccc1Br.
What is the InChIKey of 2-bromo-N-(2-chloropropyl)-6-fluoro-N-methylbenzamide?
The InChIKey is SJKJKZIDOFXATM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrClFNO/c1-7(13)6-15(2)11(16)10-8(12)4-3-5-9(10)14/h3-5,7H,6H2,1-2H3.
What are the key properties of 2-bromo-N-(2-chloropropyl)-6-fluoro-N-methylbenzamide?
2-bromo-N-(2-chloropropyl)-6-fluoro-N-methylbenzamide has a molecular weight of 308.58 g/mol, XLogP of 3.29, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(2-chloropropyl)-6-fluoro-N-methylbenzamide is sourced from PubChem (CID 114561002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).