3-bromo-N-ethyl-4-fluoro-N-(oxolan-3-ylmethyl)benzamide

C14H17BrFNO2 — CID 103707104

IUPAC3-bromo-N-ethyl-4-fluoro-N-(oxolan-3-ylmethyl)benzamide
SMILESCCN(CC1CCOC1)C(=O)c1ccc(F)c(Br)c1
InChIInChI=1S/C14H17BrFNO2/c1-2-17(8-10-5-6-19-9-10)14(18)11-3-4-13(16)12(15)7-11/h3-4,7,10H,2,5-6,8-9H2,1H3
InChIKeyINKVAKKMBJKFNR-UHFFFAOYSA-N
MW330.20 g/mol
LogP3.09
Rot. Bonds4

About 3-bromo-N-ethyl-4-fluoro-N-(oxolan-3-ylmethyl)benzamide

3-bromo-N-ethyl-4-fluoro-N-(oxolan-3-ylmethyl)benzamide (PubChem CID 103707104) has the molecular formula C14H17BrFNO2 and a molecular weight of 330.20 g/mol. Its IUPAC name is 3-bromo-N-ethyl-4-fluoro-N-(oxolan-3-ylmethyl)benzamide.

Molecular Properties

Compound Name3-bromo-N-ethyl-4-fluoro-N-(oxolan-3-ylmethyl)benzamide
PubChem CID103707104
Molecular FormulaC14H17BrFNO2
Molecular Weight330.20 g/mol
Exact Mass329.04
IUPAC Name3-bromo-N-ethyl-4-fluoro-N-(oxolan-3-ylmethyl)benzamide
SMILESCCN(CC1CCOC1)C(=O)c1ccc(F)c(Br)c1
InChIInChI=1S/C14H17BrFNO2/c1-2-17(8-10-5-6-19-9-10)14(18)11-3-4-13(16)12(15)7-11/h3-4,7,10H,2,5-6,8-9H2,1H3
InChIKeyINKVAKKMBJKFNR-UHFFFAOYSA-N
XLogP3.09
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.20
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-N-ethyl-5-methyl-N-(oxolan-3-ylmethyl)benzamide
CID 104852419
4-(dimethylamino)-N-ethyl-2-fluoro-N-[[(3S)-oxolan-3-yl]methyl]benzamide
CID 97239773
3-amino-4-(dimethylamino)-N-ethyl-N-(oxolan-3-ylmethyl)benzamide
CID 61114252
3-amino-N-ethyl-4-methoxy-N-(oxolan-3-ylmethyl)benzamide
CID 61115387
4-(dimethylsulfamoyl)-N-ethyl-N-[[(3S)-oxolan-3-yl]methyl]benzamide
CID 94805874
N-ethyl-4-(methylamino)-3-nitro-N-[[(3R)-oxolan-3-yl]methyl]benzamide
CID 94797422
N-ethyl-2-fluoro-3-methyl-N-(oxolan-3-ylmethyl)benzamide
CID 80719027
N-[2-[ethyl-[[(3S)-oxolan-3-yl]methyl]amino]-2-oxoethyl]-4-fluorobenzamide
CID 94820192
1-(3-bromo-4-fluorophenyl)-2-(oxan-4-yl)ethanone
CID 82809279
3-bromo-N-ethyl-4-fluoro-N-(3-hydroxypropyl)benzamide
CID 113339415
N-ethyl-4-oxo-N-(oxolan-3-ylmethyl)-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide
CID 53497874
1-(4-bromophenyl)-N-ethyl-N-(oxolan-3-ylmethyl)pyrazole-4-carboxamide
CID 51124015

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-ethyl-4-fluoro-N-(oxolan-3-ylmethyl)benzamide?
The IUPAC name of 3-bromo-N-ethyl-4-fluoro-N-(oxolan-3-ylmethyl)benzamide (CID 103707104) is 3-bromo-N-ethyl-4-fluoro-N-(oxolan-3-ylmethyl)benzamide.
What is the SMILES notation for 3-bromo-N-ethyl-4-fluoro-N-(oxolan-3-ylmethyl)benzamide?
The canonical SMILES for 3-bromo-N-ethyl-4-fluoro-N-(oxolan-3-ylmethyl)benzamide is CCN(CC1CCOC1)C(=O)c1ccc(F)c(Br)c1.
What is the InChIKey of 3-bromo-N-ethyl-4-fluoro-N-(oxolan-3-ylmethyl)benzamide?
The InChIKey is INKVAKKMBJKFNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrFNO2/c1-2-17(8-10-5-6-19-9-10)14(18)11-3-4-13(16)12(15)7-11/h3-4,7,10H,2,5-6,8-9H2,1H3.
What are the key properties of 3-bromo-N-ethyl-4-fluoro-N-(oxolan-3-ylmethyl)benzamide?
3-bromo-N-ethyl-4-fluoro-N-(oxolan-3-ylmethyl)benzamide has a molecular weight of 330.20 g/mol, XLogP of 3.09, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-ethyl-4-fluoro-N-(oxolan-3-ylmethyl)benzamide is sourced from PubChem (CID 103707104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).