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

C13H16ClNO3 — CID 113415090

IUPAC4-chloro-2-hydroxy-N-[2-(oxolan-3-yl)ethyl]benzamide
SMILESO=C(NCCC1CCOC1)c1ccc(Cl)cc1O
InChIInChI=1S/C13H16ClNO3/c14-10-1-2-11(12(16)7-10)13(17)15-5-3-9-4-6-18-8-9/h1-2,7,9,16H,3-6,8H2,(H,15,17)
InChIKeyLNEGFBKWARVRQL-UHFFFAOYSA-N
MW269.73 g/mol
LogP2.20
Rot. Bonds4

About 4-chloro-2-hydroxy-N-[2-(oxolan-3-yl)ethyl]benzamide

4-chloro-2-hydroxy-N-[2-(oxolan-3-yl)ethyl]benzamide (PubChem CID 113415090) has the molecular formula C13H16ClNO3 and a molecular weight of 269.73 g/mol. Its IUPAC name is 4-chloro-2-hydroxy-N-[2-(oxolan-3-yl)ethyl]benzamide.

Molecular Properties

Compound Name4-chloro-2-hydroxy-N-[2-(oxolan-3-yl)ethyl]benzamide
PubChem CID113415090
Molecular FormulaC13H16ClNO3
Molecular Weight269.73 g/mol
Exact Mass269.08
IUPAC Name4-chloro-2-hydroxy-N-[2-(oxolan-3-yl)ethyl]benzamide
SMILESO=C(NCCC1CCOC1)c1ccc(Cl)cc1O
InChIInChI=1S/C13H16ClNO3/c14-10-1-2-11(12(16)7-10)13(17)15-5-3-9-4-6-18-8-9/h1-2,7,9,16H,3-6,8H2,(H,15,17)
InChIKeyLNEGFBKWARVRQL-UHFFFAOYSA-N
XLogP2.20
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
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

4-chloro-2-hydroxy-N-(oxan-4-ylmethyl)benzamide
CID 62328293
2-methyl-N-[2-(oxolan-3-yl)ethyl]-5-sulfanylbenzamide
CID 114130503
3-chloro-N-[2-[(3R)-oxolan-3-yl]ethyl]pyridine-4-carboxamide
CID 124679731
2,4-dihydroxy-N-(oxolan-3-ylmethyl)benzamide
CID 103614166
N-(2-bromoethyl)-4-chloro-2-hydroxybenzamide
CID 114307488
4-chloro-N-(1,4-dioxan-2-ylmethyl)-2-hydroxybenzamide
CID 54908530
5-chloro-N-[2-(oxolan-3-yl)ethyl]thiophene-2-carboxamide
CID 91776294
3-chloro-4-iodo-N-[2-(oxolan-3-yl)ethyl]benzamide
CID 113415088
4-amino-2-chloro-N-[2-(oxan-4-yl)ethyl]benzamide
CID 119724818
4-chloro-N-[3-(cyclopropylmethoxy)propyl]-2-hydroxybenzamide
CID 103606116
2,4-dichloro-N-(oxan-4-ylmethyl)benzamide
CID 110736396
4-chloro-N-(2-cyclopentyloxyethyl)-2-hydroxybenzamide
CID 55151514

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-hydroxy-N-[2-(oxolan-3-yl)ethyl]benzamide?
The IUPAC name of 4-chloro-2-hydroxy-N-[2-(oxolan-3-yl)ethyl]benzamide (CID 113415090) is 4-chloro-2-hydroxy-N-[2-(oxolan-3-yl)ethyl]benzamide.
What is the SMILES notation for 4-chloro-2-hydroxy-N-[2-(oxolan-3-yl)ethyl]benzamide?
The canonical SMILES for 4-chloro-2-hydroxy-N-[2-(oxolan-3-yl)ethyl]benzamide is O=C(NCCC1CCOC1)c1ccc(Cl)cc1O.
What is the InChIKey of 4-chloro-2-hydroxy-N-[2-(oxolan-3-yl)ethyl]benzamide?
The InChIKey is LNEGFBKWARVRQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClNO3/c14-10-1-2-11(12(16)7-10)13(17)15-5-3-9-4-6-18-8-9/h1-2,7,9,16H,3-6,8H2,(H,15,17).
What are the key properties of 4-chloro-2-hydroxy-N-[2-(oxolan-3-yl)ethyl]benzamide?
4-chloro-2-hydroxy-N-[2-(oxolan-3-yl)ethyl]benzamide has a molecular weight of 269.73 g/mol, XLogP of 2.20, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-hydroxy-N-[2-(oxolan-3-yl)ethyl]benzamide is sourced from PubChem (CID 113415090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).