2-chloro-5-hydroxy-N-[1-(oxolan-3-yl)ethyl]benzamide

C13H16ClNO3 — CID 106502198

IUPAC2-chloro-5-hydroxy-N-[1-(oxolan-3-yl)ethyl]benzamide
SMILESCC(NC(=O)c1cc(O)ccc1Cl)C1CCOC1
InChIInChI=1S/C13H16ClNO3/c1-8(9-4-5-18-7-9)15-13(17)11-6-10(16)2-3-12(11)14/h2-3,6,8-9,16H,4-5,7H2,1H3,(H,15,17)
InChIKeyZIPYYMGQVQBTDB-UHFFFAOYSA-N
MW269.73 g/mol
LogP2.20
Rot. Bonds3

About 2-chloro-5-hydroxy-N-[1-(oxolan-3-yl)ethyl]benzamide

2-chloro-5-hydroxy-N-[1-(oxolan-3-yl)ethyl]benzamide (PubChem CID 106502198) has the molecular formula C13H16ClNO3 and a molecular weight of 269.73 g/mol. Its IUPAC name is 2-chloro-5-hydroxy-N-[1-(oxolan-3-yl)ethyl]benzamide.

Molecular Properties

Compound Name2-chloro-5-hydroxy-N-[1-(oxolan-3-yl)ethyl]benzamide
PubChem CID106502198
Molecular FormulaC13H16ClNO3
Molecular Weight269.73 g/mol
Exact Mass269.08
IUPAC Name2-chloro-5-hydroxy-N-[1-(oxolan-3-yl)ethyl]benzamide
SMILESCC(NC(=O)c1cc(O)ccc1Cl)C1CCOC1
InChIInChI=1S/C13H16ClNO3/c1-8(9-4-5-18-7-9)15-13(17)11-6-10(16)2-3-12(11)14/h2-3,6,8-9,16H,4-5,7H2,1H3,(H,15,17)
InChIKeyZIPYYMGQVQBTDB-UHFFFAOYSA-N
XLogP2.20
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.73
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-2-fluoro-N-[1-(oxolan-3-yl)ethyl]benzamide
CID 113241572
3-hydroxy-N-[1-(oxolan-3-yl)ethyl]benzamide
CID 113366833
5-chloro-2-(methylamino)-N-[1-(oxolan-3-yl)ethyl]pyridine-4-carboxamide
CID 114924748
3-bromo-2-chloro-N-[1-(oxolan-3-yl)ethyl]benzamide
CID 103990950
2,5-dichloro-N-[1-(oxan-4-yl)ethyl]pyridine-4-carboxamide
CID 105060780
2,3-dichloro-5-nitro-N-[1-(oxolan-3-yl)ethyl]benzamide
CID 107189551
2-bromo-5-methoxy-N-[1-(oxolan-3-yl)ethyl]benzamide
CID 113241573
2-[3-[1-(oxolan-3-yl)ethylcarbamoyl]furan-2-yl]acetic acid
CID 114217885
4-[1-(oxolan-3-yl)ethylcarbamoyl]benzoic acid
CID 113263166
2-iodo-3-methyl-N-[1-(oxolan-3-yl)ethyl]benzamide
CID 113241559
3-hydroxy-N-[1-(oxan-4-yl)ethyl]benzamide
CID 113368337
3-[[(1R)-1-[(3R)-oxolan-3-yl]ethyl]carbamoyl]benzoic acid
CID 124595766

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-hydroxy-N-[1-(oxolan-3-yl)ethyl]benzamide?
The IUPAC name of 2-chloro-5-hydroxy-N-[1-(oxolan-3-yl)ethyl]benzamide (CID 106502198) is 2-chloro-5-hydroxy-N-[1-(oxolan-3-yl)ethyl]benzamide.
What is the SMILES notation for 2-chloro-5-hydroxy-N-[1-(oxolan-3-yl)ethyl]benzamide?
The canonical SMILES for 2-chloro-5-hydroxy-N-[1-(oxolan-3-yl)ethyl]benzamide is CC(NC(=O)c1cc(O)ccc1Cl)C1CCOC1.
What is the InChIKey of 2-chloro-5-hydroxy-N-[1-(oxolan-3-yl)ethyl]benzamide?
The InChIKey is ZIPYYMGQVQBTDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClNO3/c1-8(9-4-5-18-7-9)15-13(17)11-6-10(16)2-3-12(11)14/h2-3,6,8-9,16H,4-5,7H2,1H3,(H,15,17).
What are the key properties of 2-chloro-5-hydroxy-N-[1-(oxolan-3-yl)ethyl]benzamide?
2-chloro-5-hydroxy-N-[1-(oxolan-3-yl)ethyl]benzamide has a molecular weight of 269.73 g/mol, XLogP of 2.20, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-hydroxy-N-[1-(oxolan-3-yl)ethyl]benzamide is sourced from PubChem (CID 106502198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).