2-bromo-6-fluoro-N-[1-(hydroxymethyl)cyclopropyl]benzamide

C11H11BrFNO2 — CID 114559754

IUPAC2-bromo-6-fluoro-N-[1-(hydroxymethyl)cyclopropyl]benzamide
SMILESO=C(NC1(CO)CC1)c1c(F)cccc1Br
InChIInChI=1S/C11H11BrFNO2/c12-7-2-1-3-8(13)9(7)10(16)14-11(6-15)4-5-11/h1-3,15H,4-6H2,(H,14,16)
InChIKeyKNIPIMFIFJMHMW-UHFFFAOYSA-N
MW288.12 g/mol
LogP1.84
Rot. Bonds3

About 2-bromo-6-fluoro-N-[1-(hydroxymethyl)cyclopropyl]benzamide

2-bromo-6-fluoro-N-[1-(hydroxymethyl)cyclopropyl]benzamide (PubChem CID 114559754) has the molecular formula C11H11BrFNO2 and a molecular weight of 288.12 g/mol. Its IUPAC name is 2-bromo-6-fluoro-N-[1-(hydroxymethyl)cyclopropyl]benzamide.

Molecular Properties

Compound Name2-bromo-6-fluoro-N-[1-(hydroxymethyl)cyclopropyl]benzamide
PubChem CID114559754
Molecular FormulaC11H11BrFNO2
Molecular Weight288.12 g/mol
Exact Mass287.00
IUPAC Name2-bromo-6-fluoro-N-[1-(hydroxymethyl)cyclopropyl]benzamide
SMILESO=C(NC1(CO)CC1)c1c(F)cccc1Br
InChIInChI=1S/C11H11BrFNO2/c12-7-2-1-3-8(13)9(7)10(16)14-11(6-15)4-5-11/h1-3,15H,4-6H2,(H,14,16)
InChIKeyKNIPIMFIFJMHMW-UHFFFAOYSA-N
XLogP1.84
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.12
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-N-[1-(bromomethyl)cyclopropyl]-6-fluorobenzamide
CID 114561143
2-bromo-N-(1-ethylcyclobutyl)-6-fluorobenzamide
CID 114559748
2,6-difluoro-N-[4-(hydroxymethyl)oxan-4-yl]benzamide
CID 106298371
N-[1-(bromomethyl)cyclopropyl]-2-fluoro-6-hydroxybenzamide
CID 107016999
2-bromo-N-(1-cyanocyclopentyl)-6-fluorobenzamide
CID 115687322
3-bromo-2-fluoro-N-[4-(hydroxymethyl)oxan-4-yl]benzamide
CID 106548206
2-bromo-6-fluoro-N-(3-methylpyrrolidin-3-yl)benzamide
CID 107422756
2-bromo-6-fluoro-N-[1-[(E)-N'-hydroxycarbamimidoyl]cyclopentyl]benzamide
CID 114560764
2-bromo-6-fluoro-N-(1-hydroxy-2-methylpropan-2-yl)benzamide
CID 114559568
N-(2-amino-2-sulfanylideneethyl)-2-bromo-6-fluorobenzamide
CID 114559233
2-[1-[(2-fluoro-6-hydroxybenzoyl)amino]cyclohexyl]acetic acid
CID 107013634
2,6-dichloro-N-[1-(hydroxymethyl)cyclopentyl]benzamide
CID 62519426

Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-fluoro-N-[1-(hydroxymethyl)cyclopropyl]benzamide?
The IUPAC name of 2-bromo-6-fluoro-N-[1-(hydroxymethyl)cyclopropyl]benzamide (CID 114559754) is 2-bromo-6-fluoro-N-[1-(hydroxymethyl)cyclopropyl]benzamide.
What is the SMILES notation for 2-bromo-6-fluoro-N-[1-(hydroxymethyl)cyclopropyl]benzamide?
The canonical SMILES for 2-bromo-6-fluoro-N-[1-(hydroxymethyl)cyclopropyl]benzamide is O=C(NC1(CO)CC1)c1c(F)cccc1Br.
What is the InChIKey of 2-bromo-6-fluoro-N-[1-(hydroxymethyl)cyclopropyl]benzamide?
The InChIKey is KNIPIMFIFJMHMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrFNO2/c12-7-2-1-3-8(13)9(7)10(16)14-11(6-15)4-5-11/h1-3,15H,4-6H2,(H,14,16).
What are the key properties of 2-bromo-6-fluoro-N-[1-(hydroxymethyl)cyclopropyl]benzamide?
2-bromo-6-fluoro-N-[1-(hydroxymethyl)cyclopropyl]benzamide has a molecular weight of 288.12 g/mol, XLogP of 1.84, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-fluoro-N-[1-(hydroxymethyl)cyclopropyl]benzamide is sourced from PubChem (CID 114559754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).