4-bromo-3-fluoro-N-[2-hydroxy-3-(2-methylpropoxy)propyl]benzamide

C14H19BrFNO3 — CID 111697663

IUPAC4-bromo-3-fluoro-N-[2-hydroxy-3-(2-methylpropoxy)propyl]benzamide
SMILESCC(C)COCC(O)CNC(=O)c1ccc(Br)c(F)c1
InChIInChI=1S/C14H19BrFNO3/c1-9(2)7-20-8-11(18)6-17-14(19)10-3-4-12(15)13(16)5-10/h3-5,9,11,18H,6-8H2,1-2H3,(H,17,19)
InChIKeyGMUKEJGPVZIDRS-UHFFFAOYSA-N
MW348.21 g/mol
LogP2.35
Rot. Bonds7

About 4-bromo-3-fluoro-N-[2-hydroxy-3-(2-methylpropoxy)propyl]benzamide

4-bromo-3-fluoro-N-[2-hydroxy-3-(2-methylpropoxy)propyl]benzamide (PubChem CID 111697663) has the molecular formula C14H19BrFNO3 and a molecular weight of 348.21 g/mol. Its IUPAC name is 4-bromo-3-fluoro-N-[2-hydroxy-3-(2-methylpropoxy)propyl]benzamide.

Molecular Properties

Compound Name4-bromo-3-fluoro-N-[2-hydroxy-3-(2-methylpropoxy)propyl]benzamide
PubChem CID111697663
Molecular FormulaC14H19BrFNO3
Molecular Weight348.21 g/mol
Exact Mass347.05
IUPAC Name4-bromo-3-fluoro-N-[2-hydroxy-3-(2-methylpropoxy)propyl]benzamide
SMILESCC(C)COCC(O)CNC(=O)c1ccc(Br)c(F)c1
InChIInChI=1S/C14H19BrFNO3/c1-9(2)7-20-8-11(18)6-17-14(19)10-3-4-12(15)13(16)5-10/h3-5,9,11,18H,6-8H2,1-2H3,(H,17,19)
InChIKeyGMUKEJGPVZIDRS-UHFFFAOYSA-N
XLogP2.35
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.21
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-3-fluoro-N-[(2S)-2-hydroxypropyl]benzamide
CID 83030765
N-(2-amino-3-hydroxybutyl)-4-bromo-3-fluorobenzamide
CID 64540601
4-bromo-3-fluoro-N-(2-methylsulfanylpropyl)benzamide
CID 115759502
4-bromo-N-(2,2-diethoxyethyl)-3-fluorobenzamide
CID 79547974
4-bromo-3-fluoro-N-[2-(2-hydroxypropylamino)ethyl]benzamide
CID 113430397
N-[2-hydroxy-3-(2-methylpropoxy)propyl]thiophene-3-carboxamide
CID 111662690
methyl 2-[(4-bromo-3-fluorobenzoyl)amino]acetate
CID 47421773
4-bromo-3-fluoro-N-(2-oxopropyl)benzamide
CID 64996616
2-(4-bromo-3-fluorophenyl)-N-[(2S)-2-hydroxy-3-methoxypropyl]acetamide
CID 97240175
4-bromo-N-(2-bromo-2-cyclopropylethyl)-3-fluorobenzamide
CID 114315887
4-bromo-N-[(2R)-2-hydroxy-3-(2-methylpropoxy)propyl]-1-methylpyrrole-2-carboxamide
CID 97228400
4-bromo-3-fluoro-N-(2-fluoroethyl)benzamide
CID 130478173

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-fluoro-N-[2-hydroxy-3-(2-methylpropoxy)propyl]benzamide?
The IUPAC name of 4-bromo-3-fluoro-N-[2-hydroxy-3-(2-methylpropoxy)propyl]benzamide (CID 111697663) is 4-bromo-3-fluoro-N-[2-hydroxy-3-(2-methylpropoxy)propyl]benzamide.
What is the SMILES notation for 4-bromo-3-fluoro-N-[2-hydroxy-3-(2-methylpropoxy)propyl]benzamide?
The canonical SMILES for 4-bromo-3-fluoro-N-[2-hydroxy-3-(2-methylpropoxy)propyl]benzamide is CC(C)COCC(O)CNC(=O)c1ccc(Br)c(F)c1.
What is the InChIKey of 4-bromo-3-fluoro-N-[2-hydroxy-3-(2-methylpropoxy)propyl]benzamide?
The InChIKey is GMUKEJGPVZIDRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrFNO3/c1-9(2)7-20-8-11(18)6-17-14(19)10-3-4-12(15)13(16)5-10/h3-5,9,11,18H,6-8H2,1-2H3,(H,17,19).
What are the key properties of 4-bromo-3-fluoro-N-[2-hydroxy-3-(2-methylpropoxy)propyl]benzamide?
4-bromo-3-fluoro-N-[2-hydroxy-3-(2-methylpropoxy)propyl]benzamide has a molecular weight of 348.21 g/mol, XLogP of 2.35, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-fluoro-N-[2-hydroxy-3-(2-methylpropoxy)propyl]benzamide is sourced from PubChem (CID 111697663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).