3,4-dichloro-2-hydroxy-N-[2-[(2S)-oxolan-2-yl]ethyl]benzamide

C13H15Cl2NO3 — CID 97010668

IUPAC3,4-dichloro-2-hydroxy-N-[2-[(2S)-oxolan-2-yl]ethyl]benzamide
SMILESO=C(NCC[C@@H]1CCCO1)c1ccc(Cl)c(Cl)c1O
InChIInChI=1S/C13H15Cl2NO3/c14-10-4-3-9(12(17)11(10)15)13(18)16-6-5-8-2-1-7-19-8/h3-4,8,17H,1-2,5-7H2,(H,16,18)/t8-/m0/s1
InChIKeyFWNFQNWHAGEVBL-QMMMGPOBSA-N
MW304.17 g/mol
LogP3.00
Rot. Bonds4

About 3,4-dichloro-2-hydroxy-N-[2-[(2S)-oxolan-2-yl]ethyl]benzamide

3,4-dichloro-2-hydroxy-N-[2-[(2S)-oxolan-2-yl]ethyl]benzamide (PubChem CID 97010668) has the molecular formula C13H15Cl2NO3 and a molecular weight of 304.17 g/mol. Its IUPAC name is 3,4-dichloro-2-hydroxy-N-[2-[(2S)-oxolan-2-yl]ethyl]benzamide.

Molecular Properties

Compound Name3,4-dichloro-2-hydroxy-N-[2-[(2S)-oxolan-2-yl]ethyl]benzamide
PubChem CID97010668
Molecular FormulaC13H15Cl2NO3
Molecular Weight304.17 g/mol
Exact Mass303.04
IUPAC Name3,4-dichloro-2-hydroxy-N-[2-[(2S)-oxolan-2-yl]ethyl]benzamide
SMILESO=C(NCC[C@@H]1CCCO1)c1ccc(Cl)c(Cl)c1O
InChIInChI=1S/C13H15Cl2NO3/c14-10-4-3-9(12(17)11(10)15)13(18)16-6-5-8-2-1-7-19-8/h3-4,8,17H,1-2,5-7H2,(H,16,18)/t8-/m0/s1
InChIKeyFWNFQNWHAGEVBL-QMMMGPOBSA-N
XLogP3.00
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.17
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-2-fluoro-N-[2-(oxolan-2-yl)ethyl]benzamide
CID 42950494
4-chloro-3-[2-(oxolan-2-yl)ethylcarbamoyl]benzenesulfonyl chloride
CID 65372937
3-chloro-N-[2-(oxolan-2-yl)ethyl]pyridine-4-carboxamide
CID 66482577
2-chloro-6-fluoro-N-[2-(oxolan-2-yl)ethyl]benzamide
CID 110731260
3-hydroxy-N-[2-(oxolan-2-yl)ethyl]pyridine-4-carboxamide
CID 80707090
2-chloro-5-[2-(oxolan-2-yl)ethylcarbamoyl]benzenesulfonyl chloride
CID 65370822
2-bromo-5-chloro-N-[2-(oxan-2-yl)ethyl]benzamide
CID 113362862
2-iodo-N-[2-(oxan-2-yl)ethyl]benzamide
CID 103993683
4-hydrazinyl-N-[2-(oxolan-2-yl)ethyl]benzamide
CID 62249331
3-bromo-5-chloro-N-[2-(oxolan-2-yl)ethyl]benzamide
CID 113286146
2-[2-(methylamino)ethyl]-N-[2-(oxolan-2-yl)ethyl]benzamide
CID 104547635
4-(ethylamino)-N-[2-(oxolan-2-yl)ethyl]pyridine-3-carboxamide
CID 81240671

Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-2-hydroxy-N-[2-[(2S)-oxolan-2-yl]ethyl]benzamide?
The IUPAC name of 3,4-dichloro-2-hydroxy-N-[2-[(2S)-oxolan-2-yl]ethyl]benzamide (CID 97010668) is 3,4-dichloro-2-hydroxy-N-[2-[(2S)-oxolan-2-yl]ethyl]benzamide.
What is the SMILES notation for 3,4-dichloro-2-hydroxy-N-[2-[(2S)-oxolan-2-yl]ethyl]benzamide?
The canonical SMILES for 3,4-dichloro-2-hydroxy-N-[2-[(2S)-oxolan-2-yl]ethyl]benzamide is O=C(NCC[C@@H]1CCCO1)c1ccc(Cl)c(Cl)c1O.
What is the InChIKey of 3,4-dichloro-2-hydroxy-N-[2-[(2S)-oxolan-2-yl]ethyl]benzamide?
The InChIKey is FWNFQNWHAGEVBL-QMMMGPOBSA-N. The full InChI is InChI=1S/C13H15Cl2NO3/c14-10-4-3-9(12(17)11(10)15)13(18)16-6-5-8-2-1-7-19-8/h3-4,8,17H,1-2,5-7H2,(H,16,18)/t8-/m0/s1.
What are the key properties of 3,4-dichloro-2-hydroxy-N-[2-[(2S)-oxolan-2-yl]ethyl]benzamide?
3,4-dichloro-2-hydroxy-N-[2-[(2S)-oxolan-2-yl]ethyl]benzamide has a molecular weight of 304.17 g/mol, XLogP of 3.00, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-2-hydroxy-N-[2-[(2S)-oxolan-2-yl]ethyl]benzamide is sourced from PubChem (CID 97010668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).