4-(2-fluoropropan-2-yloxy)-N-(2-hydroxyethyl)benzamide

C12H16FNO3 — CID 167046526

IUPAC4-(2-fluoropropan-2-yloxy)-N-(2-hydroxyethyl)benzamide
SMILESCC(C)(F)Oc1ccc(C(=O)NCCO)cc1
InChIInChI=1S/C12H16FNO3/c1-12(2,13)17-10-5-3-9(4-6-10)11(16)14-7-8-15/h3-6,15H,7-8H2,1-2H3,(H,14,16)
InChIKeyJLHXBNWTCSESMC-UHFFFAOYSA-N
MW241.26 g/mol
LogP1.49
Rot. Bonds5

About 4-(2-fluoropropan-2-yloxy)-N-(2-hydroxyethyl)benzamide

4-(2-fluoropropan-2-yloxy)-N-(2-hydroxyethyl)benzamide (PubChem CID 167046526) has the molecular formula C12H16FNO3 and a molecular weight of 241.26 g/mol. Its IUPAC name is 4-(2-fluoropropan-2-yloxy)-N-(2-hydroxyethyl)benzamide.

Molecular Properties

Compound Name4-(2-fluoropropan-2-yloxy)-N-(2-hydroxyethyl)benzamide
PubChem CID167046526
Molecular FormulaC12H16FNO3
Molecular Weight241.26 g/mol
Exact Mass241.11
IUPAC Name4-(2-fluoropropan-2-yloxy)-N-(2-hydroxyethyl)benzamide
SMILESCC(C)(F)Oc1ccc(C(=O)NCCO)cc1
InChIInChI=1S/C12H16FNO3/c1-12(2,13)17-10-5-3-9(4-6-10)11(16)14-7-8-15/h3-6,15H,7-8H2,1-2H3,(H,14,16)
InChIKeyJLHXBNWTCSESMC-UHFFFAOYSA-N
XLogP1.49
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.26
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[6-[4-(2-fluoropropan-2-yloxy)anilino]pyrimidin-4-yl]-N-(2-hydroxyethyl)benzamide
CID 144886669
1-tert-butyl-4-(4-tert-butylphenoxy)benzene;N-(2-hydroxyethyl)pyrimidine-5-carboxamide
CID 70417137
4-(tribromomethoxy)-N-[7-[[4-(tribromomethoxy)benzoyl]amino]heptyl]benzamide
CID 21452884
4-methoxy-N-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]benzamide
CID 108537590
N-(3-formamidopropyl)-4-[(2-methylpropan-2-yl)oxy]benzamide
CID 110464682
N-(5-iodopentyl)-4-(trifluoromethoxy)benzamide
CID 107322364
N-[7-[(4-bromobenzoyl)amino]heptyl]-4-(trifluoromethoxy)benzamide
CID 54468916
N-[2-(dimethylamino)ethyl]-4-[4-(trifluoromethoxy)anilino]benzamide
CID 66550469
4-[(2-fluorophenyl)methoxy]-N-(2-hydroxyethyl)benzamide
CID 111432867
N-(2-hydroxyethyl)-4-phenylmethoxybenzamide
CID 10825986
benzoic acid;N-(2-hydroxyethyl)benzamide
CID 68510330
4-tert-butyl-N-[6-[(4-tert-butylbenzoyl)amino]hexyl]benzamide
CID 3415356

Frequently Asked Questions

What is the IUPAC name of 4-(2-fluoropropan-2-yloxy)-N-(2-hydroxyethyl)benzamide?
The IUPAC name of 4-(2-fluoropropan-2-yloxy)-N-(2-hydroxyethyl)benzamide (CID 167046526) is 4-(2-fluoropropan-2-yloxy)-N-(2-hydroxyethyl)benzamide.
What is the SMILES notation for 4-(2-fluoropropan-2-yloxy)-N-(2-hydroxyethyl)benzamide?
The canonical SMILES for 4-(2-fluoropropan-2-yloxy)-N-(2-hydroxyethyl)benzamide is CC(C)(F)Oc1ccc(C(=O)NCCO)cc1.
What is the InChIKey of 4-(2-fluoropropan-2-yloxy)-N-(2-hydroxyethyl)benzamide?
The InChIKey is JLHXBNWTCSESMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO3/c1-12(2,13)17-10-5-3-9(4-6-10)11(16)14-7-8-15/h3-6,15H,7-8H2,1-2H3,(H,14,16).
What are the key properties of 4-(2-fluoropropan-2-yloxy)-N-(2-hydroxyethyl)benzamide?
4-(2-fluoropropan-2-yloxy)-N-(2-hydroxyethyl)benzamide has a molecular weight of 241.26 g/mol, XLogP of 1.49, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluoropropan-2-yloxy)-N-(2-hydroxyethyl)benzamide is sourced from PubChem (CID 167046526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).