3-bromo-N-cyclobutyl-4-fluoro-N-(2-hydroxyethyl)benzamide

C13H15BrFNO2 — CID 102684435

IUPAC3-bromo-N-cyclobutyl-4-fluoro-N-(2-hydroxyethyl)benzamide
SMILESO=C(c1ccc(F)c(Br)c1)N(CCO)C1CCC1
InChIInChI=1S/C13H15BrFNO2/c14-11-8-9(4-5-12(11)15)13(18)16(6-7-17)10-2-1-3-10/h4-5,8,10,17H,1-3,6-7H2
InChIKeyGBFZXVAWPUZSHX-UHFFFAOYSA-N
MW316.17 g/mol
LogP2.58
Rot. Bonds4

About 3-bromo-N-cyclobutyl-4-fluoro-N-(2-hydroxyethyl)benzamide

3-bromo-N-cyclobutyl-4-fluoro-N-(2-hydroxyethyl)benzamide (PubChem CID 102684435) has the molecular formula C13H15BrFNO2 and a molecular weight of 316.17 g/mol. Its IUPAC name is 3-bromo-N-cyclobutyl-4-fluoro-N-(2-hydroxyethyl)benzamide.

Molecular Properties

Compound Name3-bromo-N-cyclobutyl-4-fluoro-N-(2-hydroxyethyl)benzamide
PubChem CID102684435
Molecular FormulaC13H15BrFNO2
Molecular Weight316.17 g/mol
Exact Mass315.03
IUPAC Name3-bromo-N-cyclobutyl-4-fluoro-N-(2-hydroxyethyl)benzamide
SMILESO=C(c1ccc(F)c(Br)c1)N(CCO)C1CCC1
InChIInChI=1S/C13H15BrFNO2/c14-11-8-9(4-5-12(11)15)13(18)16(6-7-17)10-2-1-3-10/h4-5,8,10,17H,1-3,6-7H2
InChIKeyGBFZXVAWPUZSHX-UHFFFAOYSA-N
XLogP2.58
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.17
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-N-(2-chloroethyl)-N-cyclohexyl-4-fluorobenzamide
CID 107956554
3-bromo-N-(3-chloropropyl)-N-cyclobutyl-4-fluorobenzamide
CID 107956894
3-bromo-N-(cyanomethyl)-N-cyclopentyl-4-fluorobenzamide
CID 103707598
N-cyclobutyl-4-fluoro-N-(2-hydroxyethyl)-3-methoxybenzamide
CID 102684653
4-bromo-N-cyclohexyl-3-hydroxy-N-(2-hydroxyethyl)benzamide
CID 103956472
N-cyclobutyl-4-fluoro-N-(2-hydroxyethyl)-3-nitrobenzamide
CID 102861526
N-(azetidin-3-yl)-3-bromo-4-fluoro-N-propylbenzamide
CID 107956199
1-N,4-N-dicyclohexyl-1-N,4-N-bis(2-hydroxyethyl)benzene-1,4-dicarboxamide
CID 3317185
3-amino-4-bromo-N-cyclopropyl-N-(2-hydroxyethyl)benzamide
CID 61095056
4-amino-3-bromo-N-cyclobutyl-N-(3-hydroxypropyl)benzamide
CID 102861629
3-chloro-N-cyclobutyl-N-(2-hydroxyethyl)-4-iodobenzamide
CID 102685010
3-amino-4-fluoro-N-(2-hydroxyethyl)-N-(1-methylpiperidin-4-yl)benzamide
CID 61115533

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-cyclobutyl-4-fluoro-N-(2-hydroxyethyl)benzamide?
The IUPAC name of 3-bromo-N-cyclobutyl-4-fluoro-N-(2-hydroxyethyl)benzamide (CID 102684435) is 3-bromo-N-cyclobutyl-4-fluoro-N-(2-hydroxyethyl)benzamide.
What is the SMILES notation for 3-bromo-N-cyclobutyl-4-fluoro-N-(2-hydroxyethyl)benzamide?
The canonical SMILES for 3-bromo-N-cyclobutyl-4-fluoro-N-(2-hydroxyethyl)benzamide is O=C(c1ccc(F)c(Br)c1)N(CCO)C1CCC1.
What is the InChIKey of 3-bromo-N-cyclobutyl-4-fluoro-N-(2-hydroxyethyl)benzamide?
The InChIKey is GBFZXVAWPUZSHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrFNO2/c14-11-8-9(4-5-12(11)15)13(18)16(6-7-17)10-2-1-3-10/h4-5,8,10,17H,1-3,6-7H2.
What are the key properties of 3-bromo-N-cyclobutyl-4-fluoro-N-(2-hydroxyethyl)benzamide?
3-bromo-N-cyclobutyl-4-fluoro-N-(2-hydroxyethyl)benzamide has a molecular weight of 316.17 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-cyclobutyl-4-fluoro-N-(2-hydroxyethyl)benzamide is sourced from PubChem (CID 102684435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).