2-bromo-N-[1-(bromomethyl)cyclopropyl]-6-fluorobenzamide

C11H10Br2FNO — CID 114561143

IUPAC2-bromo-N-[1-(bromomethyl)cyclopropyl]-6-fluorobenzamide
SMILESO=C(NC1(CBr)CC1)c1c(F)cccc1Br
InChIInChI=1S/C11H10Br2FNO/c12-6-11(4-5-11)15-10(16)9-7(13)2-1-3-8(9)14/h1-3H,4-6H2,(H,15,16)
InChIKeyRRAZKUFXAQNRIX-UHFFFAOYSA-N
MW351.01 g/mol
LogP3.25
Rot. Bonds3

About 2-bromo-N-[1-(bromomethyl)cyclopropyl]-6-fluorobenzamide

2-bromo-N-[1-(bromomethyl)cyclopropyl]-6-fluorobenzamide (PubChem CID 114561143) has the molecular formula C11H10Br2FNO and a molecular weight of 351.01 g/mol. Its IUPAC name is 2-bromo-N-[1-(bromomethyl)cyclopropyl]-6-fluorobenzamide.

Molecular Properties

Compound Name2-bromo-N-[1-(bromomethyl)cyclopropyl]-6-fluorobenzamide
PubChem CID114561143
Molecular FormulaC11H10Br2FNO
Molecular Weight351.01 g/mol
Exact Mass348.91
IUPAC Name2-bromo-N-[1-(bromomethyl)cyclopropyl]-6-fluorobenzamide
SMILESO=C(NC1(CBr)CC1)c1c(F)cccc1Br
InChIInChI=1S/C11H10Br2FNO/c12-6-11(4-5-11)15-10(16)9-7(13)2-1-3-8(9)14/h1-3H,4-6H2,(H,15,16)
InChIKeyRRAZKUFXAQNRIX-UHFFFAOYSA-N
XLogP3.25
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.01
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-6-fluoro-N-[1-(hydroxymethyl)cyclopropyl]benzamide
CID 114559754
N-[1-(bromomethyl)cyclopropyl]-2-fluoro-6-hydroxybenzamide
CID 107016999
2-bromo-N-(1-ethylcyclobutyl)-6-fluorobenzamide
CID 114559748
2-bromo-N-(1-cyanocyclopentyl)-6-fluorobenzamide
CID 115687322
2-bromo-6-fluoro-N-[1-[(E)-N'-hydroxycarbamimidoyl]cyclopentyl]benzamide
CID 114560764
3-bromo-N-[4-(bromomethyl)oxan-4-yl]-2-fluorobenzamide
CID 114171044
2-bromo-6-fluoro-N-(3-methylpyrrolidin-3-yl)benzamide
CID 107422756
N-(2-amino-2-sulfanylideneethyl)-2-bromo-6-fluorobenzamide
CID 114559233
3-bromo-N-[1-(bromomethyl)cyclopentyl]-2-methylbenzamide
CID 113274839
2,6-difluoro-N-[4-(hydroxymethyl)oxan-4-yl]benzamide
CID 106298371
2-bromo-6-fluoro-N',N'-dimethylbenzohydrazide
CID 114559714
2-bromo-N-butyl-6-fluorobenzamide
CID 115678075

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[1-(bromomethyl)cyclopropyl]-6-fluorobenzamide?
The IUPAC name of 2-bromo-N-[1-(bromomethyl)cyclopropyl]-6-fluorobenzamide (CID 114561143) is 2-bromo-N-[1-(bromomethyl)cyclopropyl]-6-fluorobenzamide.
What is the SMILES notation for 2-bromo-N-[1-(bromomethyl)cyclopropyl]-6-fluorobenzamide?
The canonical SMILES for 2-bromo-N-[1-(bromomethyl)cyclopropyl]-6-fluorobenzamide is O=C(NC1(CBr)CC1)c1c(F)cccc1Br.
What is the InChIKey of 2-bromo-N-[1-(bromomethyl)cyclopropyl]-6-fluorobenzamide?
The InChIKey is RRAZKUFXAQNRIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10Br2FNO/c12-6-11(4-5-11)15-10(16)9-7(13)2-1-3-8(9)14/h1-3H,4-6H2,(H,15,16).
What are the key properties of 2-bromo-N-[1-(bromomethyl)cyclopropyl]-6-fluorobenzamide?
2-bromo-N-[1-(bromomethyl)cyclopropyl]-6-fluorobenzamide has a molecular weight of 351.01 g/mol, XLogP of 3.25, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[1-(bromomethyl)cyclopropyl]-6-fluorobenzamide is sourced from PubChem (CID 114561143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).