4-chloro-3-hydroxy-N-[(2-methylpropan-2-yl)oxy]benzamide

C11H14ClNO3 — CID 57437880

IUPAC4-chloro-3-hydroxy-N-[(2-methylpropan-2-yl)oxy]benzamide
SMILESCC(C)(C)ONC(=O)c1ccc(Cl)c(O)c1
InChIInChI=1S/C11H14ClNO3/c1-11(2,3)16-13-10(15)7-4-5-8(12)9(14)6-7/h4-6,14H,1-3H3,(H,13,15)
InChIKeyJYWYGECPYFEEHR-UHFFFAOYSA-N
MW243.69 g/mol
LogP2.51
Rot. Bonds2

About 4-chloro-3-hydroxy-N-[(2-methylpropan-2-yl)oxy]benzamide

4-chloro-3-hydroxy-N-[(2-methylpropan-2-yl)oxy]benzamide (PubChem CID 57437880) has the molecular formula C11H14ClNO3 and a molecular weight of 243.69 g/mol. Its IUPAC name is 4-chloro-3-hydroxy-N-[(2-methylpropan-2-yl)oxy]benzamide.

Molecular Properties

Compound Name4-chloro-3-hydroxy-N-[(2-methylpropan-2-yl)oxy]benzamide
PubChem CID57437880
Molecular FormulaC11H14ClNO3
Molecular Weight243.69 g/mol
Exact Mass243.07
IUPAC Name4-chloro-3-hydroxy-N-[(2-methylpropan-2-yl)oxy]benzamide
SMILESCC(C)(C)ONC(=O)c1ccc(Cl)c(O)c1
InChIInChI=1S/C11H14ClNO3/c1-11(2,3)16-13-10(15)7-4-5-8(12)9(14)6-7/h4-6,14H,1-3H3,(H,13,15)
InChIKeyJYWYGECPYFEEHR-UHFFFAOYSA-N
XLogP2.51
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.69
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-hydroxy-4-[(2-methylpropan-2-yl)oxycarbamoyl]benzoic acid
CID 89159084
3-amino-4-methyl-N-[(2-methylpropan-2-yl)oxy]benzamide
CID 82724682
methyl 4-chloro-3-hydroxybenzoate
CID 11819787
2,3-dimethyl-N-[(2-methylpropan-2-yl)oxy]-1H-indole-5-carboxamide
CID 82725792
5,6-dichloro-N-[(2-methylpropan-2-yl)oxy]pyridine-3-carboxamide
CID 82723834
3-fluoro-N-[(2-methylpropan-2-yl)oxy]-4-nitrobenzamide
CID 82724797
6-methyl-N-[(2-methylpropan-2-yl)oxy]pyridine-3-carboxamide
CID 82723958
2-hydroxy-4-methyl-N-[(2-methylpropan-2-yl)oxy]benzamide
CID 82723944
N-[(2-methylpropan-2-yl)oxy]-2-oxo-1,3-dihydroindole-5-carboxamide
CID 103868642
4-chloro-3-hydroxybenzoic acid;tribromoborane
CID 157084647
3,4-dihydroxy-N-methoxybenzamide
CID 103956380
tert-butyl (2S)-2-[(3,4-dihydroxybenzoyl)amino]propanoate
CID 103957625

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-hydroxy-N-[(2-methylpropan-2-yl)oxy]benzamide?
The IUPAC name of 4-chloro-3-hydroxy-N-[(2-methylpropan-2-yl)oxy]benzamide (CID 57437880) is 4-chloro-3-hydroxy-N-[(2-methylpropan-2-yl)oxy]benzamide.
What is the SMILES notation for 4-chloro-3-hydroxy-N-[(2-methylpropan-2-yl)oxy]benzamide?
The canonical SMILES for 4-chloro-3-hydroxy-N-[(2-methylpropan-2-yl)oxy]benzamide is CC(C)(C)ONC(=O)c1ccc(Cl)c(O)c1.
What is the InChIKey of 4-chloro-3-hydroxy-N-[(2-methylpropan-2-yl)oxy]benzamide?
The InChIKey is JYWYGECPYFEEHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO3/c1-11(2,3)16-13-10(15)7-4-5-8(12)9(14)6-7/h4-6,14H,1-3H3,(H,13,15).
What are the key properties of 4-chloro-3-hydroxy-N-[(2-methylpropan-2-yl)oxy]benzamide?
4-chloro-3-hydroxy-N-[(2-methylpropan-2-yl)oxy]benzamide has a molecular weight of 243.69 g/mol, XLogP of 2.51, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-hydroxy-N-[(2-methylpropan-2-yl)oxy]benzamide is sourced from PubChem (CID 57437880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).