2-bromo-5-fluoro-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]benzamide

C13H15BrFNO2 — CID 114750942

IUPAC2-bromo-5-fluoro-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]benzamide
SMILESO=C(NCC1(CCO)CC1)c1cc(F)ccc1Br
InChIInChI=1S/C13H15BrFNO2/c14-11-2-1-9(15)7-10(11)12(18)16-8-13(3-4-13)5-6-17/h1-2,7,17H,3-6,8H2,(H,16,18)
InChIKeyMEGSUAZSSFDNBO-UHFFFAOYSA-N
MW316.17 g/mol
LogP2.48
Rot. Bonds5

About 2-bromo-5-fluoro-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]benzamide

2-bromo-5-fluoro-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]benzamide (PubChem CID 114750942) has the molecular formula C13H15BrFNO2 and a molecular weight of 316.17 g/mol. Its IUPAC name is 2-bromo-5-fluoro-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]benzamide.

Molecular Properties

Compound Name2-bromo-5-fluoro-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]benzamide
PubChem CID114750942
Molecular FormulaC13H15BrFNO2
Molecular Weight316.17 g/mol
Exact Mass315.03
IUPAC Name2-bromo-5-fluoro-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]benzamide
SMILESO=C(NCC1(CCO)CC1)c1cc(F)ccc1Br
InChIInChI=1S/C13H15BrFNO2/c14-11-2-1-9(15)7-10(11)12(18)16-8-13(3-4-13)5-6-17/h1-2,7,17H,3-6,8H2,(H,16,18)
InChIKeyMEGSUAZSSFDNBO-UHFFFAOYSA-N
XLogP2.48
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.17
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[[(2-bromo-5-fluorobenzoyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 115435855
2-(2-bromo-4-fluorophenoxy)-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]acetamide
CID 114751339
2-bromo-N-[[1-(2-bromoethyl)cyclopropyl]methyl]-5-chlorobenzamide
CID 114026599
5-amino-2-fluoro-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]benzamide
CID 114755659
4-bromo-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-2-(trifluoromethyl)benzamide
CID 104957576
2-bromo-N-[(1-ethylcyclopropyl)methyl]-5-(trifluoromethyl)benzamide
CID 103816659
2-bromo-N-[(1-ethylcyclopentyl)methyl]-5-iodobenzamide
CID 114125614
2-amino-4-fluoro-N-[[1-(hydroxymethyl)cyclopropyl]methyl]benzamide
CID 113313360
2-bromo-5-fluoro-N-[3-(2-hydroxyethylamino)-3-oxopropyl]benzamide
CID 78889647
2-bromo-5-fluoro-N-[(4-fluorophenyl)methyl]benzamide
CID 8927292
2-bromo-N-[3-(diethylamino)propyl]-5-fluorobenzamide
CID 24694683
5-chloro-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-2-iodobenzamide
CID 104957603

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-fluoro-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]benzamide?
The IUPAC name of 2-bromo-5-fluoro-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]benzamide (CID 114750942) is 2-bromo-5-fluoro-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]benzamide.
What is the SMILES notation for 2-bromo-5-fluoro-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]benzamide?
The canonical SMILES for 2-bromo-5-fluoro-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]benzamide is O=C(NCC1(CCO)CC1)c1cc(F)ccc1Br.
What is the InChIKey of 2-bromo-5-fluoro-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]benzamide?
The InChIKey is MEGSUAZSSFDNBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrFNO2/c14-11-2-1-9(15)7-10(11)12(18)16-8-13(3-4-13)5-6-17/h1-2,7,17H,3-6,8H2,(H,16,18).
What are the key properties of 2-bromo-5-fluoro-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]benzamide?
2-bromo-5-fluoro-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]benzamide has a molecular weight of 316.17 g/mol, XLogP of 2.48, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-fluoro-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]benzamide is sourced from PubChem (CID 114750942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).