N-(2-bromopropyl)-2-fluoro-6-hydroxy-N-methylbenzamide

C11H13BrFNO2 — CID 107016757

IUPACN-(2-bromopropyl)-2-fluoro-6-hydroxy-N-methylbenzamide
SMILESCC(Br)CN(C)C(=O)c1c(O)cccc1F
InChIInChI=1S/C11H13BrFNO2/c1-7(12)6-14(2)11(16)10-8(13)4-3-5-9(10)15/h3-5,7,15H,6H2,1-2H3
InChIKeyLBCABKPAVCZXTF-UHFFFAOYSA-N
MW290.13 g/mol
LogP2.39
Rot. Bonds3

About N-(2-bromopropyl)-2-fluoro-6-hydroxy-N-methylbenzamide

N-(2-bromopropyl)-2-fluoro-6-hydroxy-N-methylbenzamide (PubChem CID 107016757) has the molecular formula C11H13BrFNO2 and a molecular weight of 290.13 g/mol. Its IUPAC name is N-(2-bromopropyl)-2-fluoro-6-hydroxy-N-methylbenzamide.

Molecular Properties

Compound NameN-(2-bromopropyl)-2-fluoro-6-hydroxy-N-methylbenzamide
PubChem CID107016757
Molecular FormulaC11H13BrFNO2
Molecular Weight290.13 g/mol
Exact Mass289.01
IUPAC NameN-(2-bromopropyl)-2-fluoro-6-hydroxy-N-methylbenzamide
SMILESCC(Br)CN(C)C(=O)c1c(O)cccc1F
InChIInChI=1S/C11H13BrFNO2/c1-7(12)6-14(2)11(16)10-8(13)4-3-5-9(10)15/h3-5,7,15H,6H2,1-2H3
InChIKeyLBCABKPAVCZXTF-UHFFFAOYSA-N
XLogP2.39
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.13
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(3-aminobutyl)-2-fluoro-6-hydroxy-N-methylbenzamide
CID 107017124
2-fluoro-6-hydroxy-N-(2-hydroxy-2-methylpropyl)-N-methylbenzamide
CID 104919951
2-bromo-N-(2-chloropropyl)-6-fluoro-N-methylbenzamide
CID 114561002
2-fluoro-6-hydroxy-N-methyl-N-(3-methylbutan-2-yl)benzamide
CID 104917662
N-(2-amino-2-sulfanylideneethyl)-2-fluoro-6-hydroxy-N-methylbenzamide
CID 107014890
N-(2-aminopropyl)-2,6-dihydroxy-N-methylbenzamide
CID 107691371
N-(2-bromopropyl)-4-fluoro-2-hydroxy-N-methylbenzamide
CID 107016758
2-fluoro-6-hydroxy-N-(1-hydroxy-2-methylpropan-2-yl)-N-methylbenzamide
CID 107015376
N-(2-bromopropyl)-3-hydroxy-N-methylbenzamide
CID 80665697
N-(1-chloro-2-methylpropan-2-yl)-2-fluoro-6-hydroxy-N-methylbenzamide
CID 107016961
N-(2-bromopropyl)-2-hydroxy-N,3-dimethylbenzamide
CID 80666341
N-[(5-bromothiophen-3-yl)methyl]-2-fluoro-6-hydroxy-N-methylbenzamide
CID 104917070

Frequently Asked Questions

What is the IUPAC name of N-(2-bromopropyl)-2-fluoro-6-hydroxy-N-methylbenzamide?
The IUPAC name of N-(2-bromopropyl)-2-fluoro-6-hydroxy-N-methylbenzamide (CID 107016757) is N-(2-bromopropyl)-2-fluoro-6-hydroxy-N-methylbenzamide.
What is the SMILES notation for N-(2-bromopropyl)-2-fluoro-6-hydroxy-N-methylbenzamide?
The canonical SMILES for N-(2-bromopropyl)-2-fluoro-6-hydroxy-N-methylbenzamide is CC(Br)CN(C)C(=O)c1c(O)cccc1F.
What is the InChIKey of N-(2-bromopropyl)-2-fluoro-6-hydroxy-N-methylbenzamide?
The InChIKey is LBCABKPAVCZXTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrFNO2/c1-7(12)6-14(2)11(16)10-8(13)4-3-5-9(10)15/h3-5,7,15H,6H2,1-2H3.
What are the key properties of N-(2-bromopropyl)-2-fluoro-6-hydroxy-N-methylbenzamide?
N-(2-bromopropyl)-2-fluoro-6-hydroxy-N-methylbenzamide has a molecular weight of 290.13 g/mol, XLogP of 2.39, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromopropyl)-2-fluoro-6-hydroxy-N-methylbenzamide is sourced from PubChem (CID 107016757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).