N-(2-bromopropyl)-2-fluoro-4-methoxybenzamide

C11H13BrFNO2 — CID 102885225

IUPACN-(2-bromopropyl)-2-fluoro-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NCC(C)Br)c(F)c1
InChIInChI=1S/C11H13BrFNO2/c1-7(12)6-14-11(15)9-4-3-8(16-2)5-10(9)13/h3-5,7H,6H2,1-2H3,(H,14,15)
InChIKeyLEFKMGKJRIROJD-UHFFFAOYSA-N
MW290.13 g/mol
LogP2.35
Rot. Bonds4

About N-(2-bromopropyl)-2-fluoro-4-methoxybenzamide

N-(2-bromopropyl)-2-fluoro-4-methoxybenzamide (PubChem CID 102885225) has the molecular formula C11H13BrFNO2 and a molecular weight of 290.13 g/mol. Its IUPAC name is N-(2-bromopropyl)-2-fluoro-4-methoxybenzamide.

Molecular Properties

Compound NameN-(2-bromopropyl)-2-fluoro-4-methoxybenzamide
PubChem CID102885225
Molecular FormulaC11H13BrFNO2
Molecular Weight290.13 g/mol
Exact Mass289.01
IUPAC NameN-(2-bromopropyl)-2-fluoro-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NCC(C)Br)c(F)c1
InChIInChI=1S/C11H13BrFNO2/c1-7(12)6-14-11(15)9-4-3-8(16-2)5-10(9)13/h3-5,7H,6H2,1-2H3,(H,14,15)
InChIKeyLEFKMGKJRIROJD-UHFFFAOYSA-N
XLogP2.35
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.13
LogP ≤ 52.35
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

2-fluoro-4-methoxy-N-(2-methylsulfinylpropyl)benzamide
CID 103846823
2-fluoro-N-(2-hydroxybutyl)-4-methoxybenzamide
CID 102882133
N-(2-aminobutyl)-2-fluoro-4-methoxybenzamide
CID 102884002
N-(3-ethyl-2-hydroxypentyl)-2-fluoro-4-methoxybenzamide
CID 103658335
N-(2-chloro-2-phenylethyl)-2-fluoro-4-methoxybenzamide
CID 102885176
N-(2-chloroethyl)-2-fluoro-4-methoxybenzamide
CID 102883572
2-fluoro-4-(2-fluoro-4-methoxyphenyl)-N-[2-(methylamino)propyl]benzamide;hydrochloride
CID 120828496
N-but-2-ynyl-2-fluoro-4-methoxybenzamide
CID 103868606
N-[2-(ethylamino)-2-oxoethyl]-2-fluoro-4-methoxybenzamide
CID 9224867
2-fluoro-N-[(4-fluorophenyl)methyl]-4-methoxybenzamide
CID 30691396
N-(3-amino-2-methylpropyl)-2-fluoro-4-(4-methoxyphenyl)benzamide
CID 119997586
2-fluoro-N,4-dimethoxybenzamide
CID 103606176

Frequently Asked Questions

What is the IUPAC name of N-(2-bromopropyl)-2-fluoro-4-methoxybenzamide?
The IUPAC name of N-(2-bromopropyl)-2-fluoro-4-methoxybenzamide (CID 102885225) is N-(2-bromopropyl)-2-fluoro-4-methoxybenzamide.
What is the SMILES notation for N-(2-bromopropyl)-2-fluoro-4-methoxybenzamide?
The canonical SMILES for N-(2-bromopropyl)-2-fluoro-4-methoxybenzamide is COc1ccc(C(=O)NCC(C)Br)c(F)c1.
What is the InChIKey of N-(2-bromopropyl)-2-fluoro-4-methoxybenzamide?
The InChIKey is LEFKMGKJRIROJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrFNO2/c1-7(12)6-14-11(15)9-4-3-8(16-2)5-10(9)13/h3-5,7H,6H2,1-2H3,(H,14,15).
What are the key properties of N-(2-bromopropyl)-2-fluoro-4-methoxybenzamide?
N-(2-bromopropyl)-2-fluoro-4-methoxybenzamide has a molecular weight of 290.13 g/mol, XLogP of 2.35, 4 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-4-methoxybenzamide is sourced from PubChem (CID 102885225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).