N-(1,3-dihydroxy-2-methylpropan-2-yl)-4-fluorobenzamide

C11H14FNO3 — CID 3613911

IUPACN-(1,3-dihydroxy-2-methylpropan-2-yl)-4-fluorobenzamide
SMILESCC(CO)(CO)NC(=O)c1ccc(F)cc1
InChIInChI=1S/C11H14FNO3/c1-11(6-14,7-15)13-10(16)8-2-4-9(12)5-3-8/h2-5,14-15H,6-7H2,1H3,(H,13,16)
InChIKeyJYVUHHCKPYUJDM-UHFFFAOYSA-N
MW227.24 g/mol
LogP0.30
Rot. Bonds4

About N-(1,3-dihydroxy-2-methylpropan-2-yl)-4-fluorobenzamide

N-(1,3-dihydroxy-2-methylpropan-2-yl)-4-fluorobenzamide (PubChem CID 3613911) has the molecular formula C11H14FNO3 and a molecular weight of 227.24 g/mol. Its IUPAC name is N-(1,3-dihydroxy-2-methylpropan-2-yl)-4-fluorobenzamide.

Molecular Properties

Compound NameN-(1,3-dihydroxy-2-methylpropan-2-yl)-4-fluorobenzamide
PubChem CID3613911
Molecular FormulaC11H14FNO3
Molecular Weight227.24 g/mol
Exact Mass227.10
IUPAC NameN-(1,3-dihydroxy-2-methylpropan-2-yl)-4-fluorobenzamide
SMILESCC(CO)(CO)NC(=O)c1ccc(F)cc1
InChIInChI=1S/C11H14FNO3/c1-11(6-14,7-15)13-10(16)8-2-4-9(12)5-3-8/h2-5,14-15H,6-7H2,1H3,(H,13,16)
InChIKeyJYVUHHCKPYUJDM-UHFFFAOYSA-N
XLogP0.30
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.24
LogP ≤ 50.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-dihydroxy-2-methylpropan-2-yl)-4-fluorobenzamide?
The IUPAC name of N-(1,3-dihydroxy-2-methylpropan-2-yl)-4-fluorobenzamide (CID 3613911) is N-(1,3-dihydroxy-2-methylpropan-2-yl)-4-fluorobenzamide.
What is the SMILES notation for N-(1,3-dihydroxy-2-methylpropan-2-yl)-4-fluorobenzamide?
The canonical SMILES for N-(1,3-dihydroxy-2-methylpropan-2-yl)-4-fluorobenzamide is CC(CO)(CO)NC(=O)c1ccc(F)cc1.
What is the InChIKey of N-(1,3-dihydroxy-2-methylpropan-2-yl)-4-fluorobenzamide?
The InChIKey is JYVUHHCKPYUJDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FNO3/c1-11(6-14,7-15)13-10(16)8-2-4-9(12)5-3-8/h2-5,14-15H,6-7H2,1H3,(H,13,16).
What are the key properties of N-(1,3-dihydroxy-2-methylpropan-2-yl)-4-fluorobenzamide?
N-(1,3-dihydroxy-2-methylpropan-2-yl)-4-fluorobenzamide has a molecular weight of 227.24 g/mol, XLogP of 0.30, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dihydroxy-2-methylpropan-2-yl)-4-fluorobenzamide is sourced from PubChem (CID 3613911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).