N-(1-hydroxybutan-2-yl)-2-(trifluoromethyl)benzamide

C12H14F3NO2 — CID 3739314

IUPACN-(1-hydroxybutan-2-yl)-2-(trifluoromethyl)benzamide
SMILESCCC(CO)NC(=O)c1ccccc1C(F)(F)F
InChIInChI=1S/C12H14F3NO2/c1-2-8(7-17)16-11(18)9-5-3-4-6-10(9)12(13,14)15/h3-6,8,17H,2,7H2,1H3,(H,16,18)
InChIKeyBSKCRMOEIGBOSG-UHFFFAOYSA-N
MW261.24 g/mol
LogP2.21
Rot. Bonds4

About N-(1-hydroxybutan-2-yl)-2-(trifluoromethyl)benzamide

N-(1-hydroxybutan-2-yl)-2-(trifluoromethyl)benzamide (PubChem CID 3739314) has the molecular formula C12H14F3NO2 and a molecular weight of 261.24 g/mol. Its IUPAC name is N-(1-hydroxybutan-2-yl)-2-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-(1-hydroxybutan-2-yl)-2-(trifluoromethyl)benzamide
PubChem CID3739314
Molecular FormulaC12H14F3NO2
Molecular Weight261.24 g/mol
Exact Mass261.10
IUPAC NameN-(1-hydroxybutan-2-yl)-2-(trifluoromethyl)benzamide
SMILESCCC(CO)NC(=O)c1ccccc1C(F)(F)F
InChIInChI=1S/C12H14F3NO2/c1-2-8(7-17)16-11(18)9-5-3-4-6-10(9)12(13,14)15/h3-6,8,17H,2,7H2,1H3,(H,16,18)
InChIKeyBSKCRMOEIGBOSG-UHFFFAOYSA-N
XLogP2.21
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.24
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxybutan-2-yl)-2-(trifluoromethyl)benzamide?
The IUPAC name of N-(1-hydroxybutan-2-yl)-2-(trifluoromethyl)benzamide (CID 3739314) is N-(1-hydroxybutan-2-yl)-2-(trifluoromethyl)benzamide.
What is the SMILES notation for N-(1-hydroxybutan-2-yl)-2-(trifluoromethyl)benzamide?
The canonical SMILES for N-(1-hydroxybutan-2-yl)-2-(trifluoromethyl)benzamide is CCC(CO)NC(=O)c1ccccc1C(F)(F)F.
What is the InChIKey of N-(1-hydroxybutan-2-yl)-2-(trifluoromethyl)benzamide?
The InChIKey is BSKCRMOEIGBOSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3NO2/c1-2-8(7-17)16-11(18)9-5-3-4-6-10(9)12(13,14)15/h3-6,8,17H,2,7H2,1H3,(H,16,18).
What are the key properties of N-(1-hydroxybutan-2-yl)-2-(trifluoromethyl)benzamide?
N-(1-hydroxybutan-2-yl)-2-(trifluoromethyl)benzamide has a molecular weight of 261.24 g/mol, XLogP of 2.21, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxybutan-2-yl)-2-(trifluoromethyl)benzamide is sourced from PubChem (CID 3739314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).