4-fluoro-2-(1-hydroxyethyl)-N,N-di(propan-2-yl)benzamide

C15H22FNO2 — CID 134962579

IUPAC4-fluoro-2-(1-hydroxyethyl)-N,N-di(propan-2-yl)benzamide
SMILESCC(O)c1cc(F)ccc1C(=O)N(C(C)C)C(C)C
InChIInChI=1S/C15H22FNO2/c1-9(2)17(10(3)4)15(19)13-7-6-12(16)8-14(13)11(5)18/h6-11,18H,1-5H3
InChIKeyXKYBKEJVWQMNGB-UHFFFAOYSA-N
MW267.34 g/mol
LogP3.14
Rot. Bonds4

About 4-fluoro-2-(1-hydroxyethyl)-N,N-di(propan-2-yl)benzamide

4-fluoro-2-(1-hydroxyethyl)-N,N-di(propan-2-yl)benzamide (PubChem CID 134962579) has the molecular formula C15H22FNO2 and a molecular weight of 267.34 g/mol. Its IUPAC name is 4-fluoro-2-(1-hydroxyethyl)-N,N-di(propan-2-yl)benzamide.

Molecular Properties

Compound Name4-fluoro-2-(1-hydroxyethyl)-N,N-di(propan-2-yl)benzamide
PubChem CID134962579
Molecular FormulaC15H22FNO2
Molecular Weight267.34 g/mol
Exact Mass267.16
IUPAC Name4-fluoro-2-(1-hydroxyethyl)-N,N-di(propan-2-yl)benzamide
SMILESCC(O)c1cc(F)ccc1C(=O)N(C(C)C)C(C)C
InChIInChI=1S/C15H22FNO2/c1-9(2)17(10(3)4)15(19)13-7-6-12(16)8-14(13)11(5)18/h6-11,18H,1-5H3
InChIKeyXKYBKEJVWQMNGB-UHFFFAOYSA-N
XLogP3.14
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.34
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-(1-hydroxyethyl)-N,N-di(propan-2-yl)benzamide?
The IUPAC name of 4-fluoro-2-(1-hydroxyethyl)-N,N-di(propan-2-yl)benzamide (CID 134962579) is 4-fluoro-2-(1-hydroxyethyl)-N,N-di(propan-2-yl)benzamide.
What is the SMILES notation for 4-fluoro-2-(1-hydroxyethyl)-N,N-di(propan-2-yl)benzamide?
The canonical SMILES for 4-fluoro-2-(1-hydroxyethyl)-N,N-di(propan-2-yl)benzamide is CC(O)c1cc(F)ccc1C(=O)N(C(C)C)C(C)C.
What is the InChIKey of 4-fluoro-2-(1-hydroxyethyl)-N,N-di(propan-2-yl)benzamide?
The InChIKey is XKYBKEJVWQMNGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FNO2/c1-9(2)17(10(3)4)15(19)13-7-6-12(16)8-14(13)11(5)18/h6-11,18H,1-5H3.
What are the key properties of 4-fluoro-2-(1-hydroxyethyl)-N,N-di(propan-2-yl)benzamide?
4-fluoro-2-(1-hydroxyethyl)-N,N-di(propan-2-yl)benzamide has a molecular weight of 267.34 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-(1-hydroxyethyl)-N,N-di(propan-2-yl)benzamide is sourced from PubChem (CID 134962579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).