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

C13H18ClFN2O2 — CID 103840147

IUPAC3-chloro-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-4-fluorobenzamide
SMILESCN(C)CC(C)(O)CNC(=O)c1ccc(F)c(Cl)c1
InChIInChI=1S/C13H18ClFN2O2/c1-13(19,8-17(2)3)7-16-12(18)9-4-5-11(15)10(14)6-9/h4-6,19H,7-8H2,1-3H3,(H,16,18)
InChIKeyVPFUPCYKWHBEDS-UHFFFAOYSA-N
MW288.75 g/mol
LogP1.52
Rot. Bonds5

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

3-chloro-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-4-fluorobenzamide (PubChem CID 103840147) has the molecular formula C13H18ClFN2O2 and a molecular weight of 288.75 g/mol. Its IUPAC name is 3-chloro-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-4-fluorobenzamide.

Molecular Properties

Compound Name3-chloro-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-4-fluorobenzamide
PubChem CID103840147
Molecular FormulaC13H18ClFN2O2
Molecular Weight288.75 g/mol
Exact Mass288.10
IUPAC Name3-chloro-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-4-fluorobenzamide
SMILESCN(C)CC(C)(O)CNC(=O)c1ccc(F)c(Cl)c1
InChIInChI=1S/C13H18ClFN2O2/c1-13(19,8-17(2)3)7-16-12(18)9-4-5-11(15)10(14)6-9/h4-6,19H,7-8H2,1-3H3,(H,16,18)
InChIKeyVPFUPCYKWHBEDS-UHFFFAOYSA-N
XLogP1.52
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.75
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-3-fluorobenzamide
CID 103840192
2,5-dichloro-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]benzamide
CID 103839782
N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-2-fluoropyridine-4-carboxamide
CID 103840043
3-chloro-N-(2-cyano-2-methylpropyl)-4-fluorobenzamide
CID 113372707
N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-2-fluoro-5-methylbenzamide
CID 103839903
4-bromo-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]benzamide
CID 113322189
3-chloro-N-[3-(dimethylamino)-2,2-dimethylpropyl]-4-iodobenzamide
CID 103734734
N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-3-hydroxybenzamide
CID 110026112
5-bromo-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-2-fluorobenzamide
CID 103839807
2-chloro-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]benzamide
CID 103840160
3-amino-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-5-fluorobenzamide
CID 106139452
3,5-diamino-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]benzamide
CID 106139483

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-4-fluorobenzamide?
The IUPAC name of 3-chloro-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-4-fluorobenzamide (CID 103840147) is 3-chloro-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-4-fluorobenzamide.
What is the SMILES notation for 3-chloro-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-4-fluorobenzamide?
The canonical SMILES for 3-chloro-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-4-fluorobenzamide is CN(C)CC(C)(O)CNC(=O)c1ccc(F)c(Cl)c1.
What is the InChIKey of 3-chloro-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-4-fluorobenzamide?
The InChIKey is VPFUPCYKWHBEDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClFN2O2/c1-13(19,8-17(2)3)7-16-12(18)9-4-5-11(15)10(14)6-9/h4-6,19H,7-8H2,1-3H3,(H,16,18).
What are the key properties of 3-chloro-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-4-fluorobenzamide?
3-chloro-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-4-fluorobenzamide has a molecular weight of 288.75 g/mol, XLogP of 1.52, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-4-fluorobenzamide is sourced from PubChem (CID 103840147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).