3-chloro-N-(1-hydroxy-2-methylpropan-2-yl)benzamide

C11H14ClNO2 — CID 978238

IUPAC3-chloro-N-(1-hydroxy-2-methylpropan-2-yl)benzamide
SMILESCC(C)(CO)NC(=O)c1cccc(Cl)c1
InChIInChI=1S/C11H14ClNO2/c1-11(2,7-14)13-10(15)8-4-3-5-9(12)6-8/h3-6,14H,7H2,1-2H3,(H,13,15)
InChIKeyXZDXDRPMHCVWBK-UHFFFAOYSA-N
MW227.69 g/mol
LogP1.84
Rot. Bonds3

About 3-chloro-N-(1-hydroxy-2-methylpropan-2-yl)benzamide

3-chloro-N-(1-hydroxy-2-methylpropan-2-yl)benzamide (PubChem CID 978238) has the molecular formula C11H14ClNO2 and a molecular weight of 227.69 g/mol. Its IUPAC name is 3-chloro-N-(1-hydroxy-2-methylpropan-2-yl)benzamide.

Molecular Properties

Compound Name3-chloro-N-(1-hydroxy-2-methylpropan-2-yl)benzamide
PubChem CID978238
Molecular FormulaC11H14ClNO2
Molecular Weight227.69 g/mol
Exact Mass227.07
IUPAC Name3-chloro-N-(1-hydroxy-2-methylpropan-2-yl)benzamide
SMILESCC(C)(CO)NC(=O)c1cccc(Cl)c1
InChIInChI=1S/C11H14ClNO2/c1-11(2,7-14)13-10(15)8-4-3-5-9(12)6-8/h3-6,14H,7H2,1-2H3,(H,13,15)
InChIKeyXZDXDRPMHCVWBK-UHFFFAOYSA-N
XLogP1.84
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.69
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(1-hydroxy-2-methylpropan-2-yl)benzamide?
The IUPAC name of 3-chloro-N-(1-hydroxy-2-methylpropan-2-yl)benzamide (CID 978238) is 3-chloro-N-(1-hydroxy-2-methylpropan-2-yl)benzamide.
What is the SMILES notation for 3-chloro-N-(1-hydroxy-2-methylpropan-2-yl)benzamide?
The canonical SMILES for 3-chloro-N-(1-hydroxy-2-methylpropan-2-yl)benzamide is CC(C)(CO)NC(=O)c1cccc(Cl)c1.
What is the InChIKey of 3-chloro-N-(1-hydroxy-2-methylpropan-2-yl)benzamide?
The InChIKey is XZDXDRPMHCVWBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO2/c1-11(2,7-14)13-10(15)8-4-3-5-9(12)6-8/h3-6,14H,7H2,1-2H3,(H,13,15).
What are the key properties of 3-chloro-N-(1-hydroxy-2-methylpropan-2-yl)benzamide?
3-chloro-N-(1-hydroxy-2-methylpropan-2-yl)benzamide has a molecular weight of 227.69 g/mol, XLogP of 1.84, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(1-hydroxy-2-methylpropan-2-yl)benzamide is sourced from PubChem (CID 978238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).