4-bromo-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-3-fluorobenzamide

C13H18BrFN2O2 — CID 103840192

IUPAC4-bromo-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-3-fluorobenzamide
SMILESCN(C)CC(C)(O)CNC(=O)c1ccc(Br)c(F)c1
InChIInChI=1S/C13H18BrFN2O2/c1-13(19,8-17(2)3)7-16-12(18)9-4-5-10(14)11(15)6-9/h4-6,19H,7-8H2,1-3H3,(H,16,18)
InChIKeyPZNJSDYJRJVIOZ-UHFFFAOYSA-N
MW333.20 g/mol
LogP1.63
Rot. Bonds5

About 4-bromo-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-3-fluorobenzamide

4-bromo-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-3-fluorobenzamide (PubChem CID 103840192) has the molecular formula C13H18BrFN2O2 and a molecular weight of 333.20 g/mol. Its IUPAC name is 4-bromo-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-3-fluorobenzamide.

Molecular Properties

Compound Name4-bromo-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-3-fluorobenzamide
PubChem CID103840192
Molecular FormulaC13H18BrFN2O2
Molecular Weight333.20 g/mol
Exact Mass332.05
IUPAC Name4-bromo-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-3-fluorobenzamide
SMILESCN(C)CC(C)(O)CNC(=O)c1ccc(Br)c(F)c1
InChIInChI=1S/C13H18BrFN2O2/c1-13(19,8-17(2)3)7-16-12(18)9-4-5-10(14)11(15)6-9/h4-6,19H,7-8H2,1-3H3,(H,16,18)
InChIKeyPZNJSDYJRJVIOZ-UHFFFAOYSA-N
XLogP1.63
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.20
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(4-bromo-3-fluorobenzoyl)amino]-3-hydroxy-3-methylbutanoic acid
CID 66001744
3-chloro-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-4-fluorobenzamide
CID 103840147
4-bromo-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]benzamide
CID 113322189
5-bromo-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-2-fluorobenzamide
CID 103839807
N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-2-fluoropyridine-4-carboxamide
CID 103840043
N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-3-hydroxybenzamide
CID 110026112
2-bromo-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-3-fluorobenzamide
CID 106143245
methyl 2-[(4-bromo-3-fluorobenzoyl)amino]acetate
CID 47421773
N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-1,3-benzothiazole-6-carboxamide
CID 103839934
4-bromo-3-fluoro-N-(2-oxopropyl)benzamide
CID 64996616
N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-2-fluoro-5-methylbenzamide
CID 103839903
4-bromo-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-2-methylbenzamide
CID 103839610

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-3-fluorobenzamide?
The IUPAC name of 4-bromo-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-3-fluorobenzamide (CID 103840192) is 4-bromo-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-3-fluorobenzamide.
What is the SMILES notation for 4-bromo-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-3-fluorobenzamide?
The canonical SMILES for 4-bromo-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-3-fluorobenzamide is CN(C)CC(C)(O)CNC(=O)c1ccc(Br)c(F)c1.
What is the InChIKey of 4-bromo-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-3-fluorobenzamide?
The InChIKey is PZNJSDYJRJVIOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrFN2O2/c1-13(19,8-17(2)3)7-16-12(18)9-4-5-10(14)11(15)6-9/h4-6,19H,7-8H2,1-3H3,(H,16,18).
What are the key properties of 4-bromo-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-3-fluorobenzamide?
4-bromo-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-3-fluorobenzamide has a molecular weight of 333.20 g/mol, XLogP of 1.63, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-3-fluorobenzamide is sourced from PubChem (CID 103840192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).