4-chloro-N-[(1S)-2-methoxy-1-[(2R)-oxolan-2-yl]ethyl]-2-methylbenzamide

C15H20ClNO3 — CID 129479879

IUPAC4-chloro-N-[(1S)-2-methoxy-1-[(2R)-oxolan-2-yl]ethyl]-2-methylbenzamide
SMILESCOC[C@H](NC(=O)c1ccc(Cl)cc1C)[C@H]1CCCO1
InChIInChI=1S/C15H20ClNO3/c1-10-8-11(16)5-6-12(10)15(18)17-13(9-19-2)14-4-3-7-20-14/h5-6,8,13-14H,3-4,7,9H2,1-2H3,(H,17,18)/t13-,14+/m0/s1
InChIKeyROVOLENKCCBMGQ-UONOGXRCSA-N
MW297.78 g/mol
LogP2.57
Rot. Bonds5

About 4-chloro-N-[(1S)-2-methoxy-1-[(2R)-oxolan-2-yl]ethyl]-2-methylbenzamide

4-chloro-N-[(1S)-2-methoxy-1-[(2R)-oxolan-2-yl]ethyl]-2-methylbenzamide (PubChem CID 129479879) has the molecular formula C15H20ClNO3 and a molecular weight of 297.78 g/mol. Its IUPAC name is 4-chloro-N-[(1S)-2-methoxy-1-[(2R)-oxolan-2-yl]ethyl]-2-methylbenzamide.

Molecular Properties

Compound Name4-chloro-N-[(1S)-2-methoxy-1-[(2R)-oxolan-2-yl]ethyl]-2-methylbenzamide
PubChem CID129479879
Molecular FormulaC15H20ClNO3
Molecular Weight297.78 g/mol
Exact Mass297.11
IUPAC Name4-chloro-N-[(1S)-2-methoxy-1-[(2R)-oxolan-2-yl]ethyl]-2-methylbenzamide
SMILESCOC[C@H](NC(=O)c1ccc(Cl)cc1C)[C@H]1CCCO1
InChIInChI=1S/C15H20ClNO3/c1-10-8-11(16)5-6-12(10)15(18)17-13(9-19-2)14-4-3-7-20-14/h5-6,8,13-14H,3-4,7,9H2,1-2H3,(H,17,18)/t13-,14+/m0/s1
InChIKeyROVOLENKCCBMGQ-UONOGXRCSA-N
XLogP2.57
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.78
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-3-hydroxy-N-[2-methoxy-1-(oxolan-2-yl)ethyl]benzamide
CID 154846082
N-(1-bromo-3-methoxypropan-2-yl)-4-chloro-2-methylbenzamide
CID 106184919
2-(cyclopropylamino)-N-[(1S)-2-methoxy-1-[(2S)-oxolan-2-yl]ethyl]-1,3-thiazole-4-carboxamide
CID 100735934
2-(4-chlorophenyl)-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]acetamide
CID 42563052
2,4-dichloro-N-[(2R)-4-methyl-1-oxo-1-[[(2S)-oxolan-2-yl]methylamino]pentan-2-yl]benzamide
CID 30478968
N-[2-methoxy-1-(oxolan-2-yl)ethyl]-2-[2-(2,2,2-trifluoroethoxy)phenoxy]acetamide
CID 119036778
5-chloro-2-(methanesulfonamido)-N-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]benzamide
CID 95281365
N-(5-chloro-2-methylphenyl)-2-[1-(oxolan-2-yl)ethylamino]acetamide
CID 43626479
4-chloro-N-[(4-chlorocyclohexyl)methyl]-2-methylbenzamide
CID 106134057
2-(5-chloro-2-methoxyanilino)-N-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]acetamide
CID 95160627
4-chloro-N-[3-methyl-1-oxo-1-[1-(oxolan-2-yl)ethylamino]butan-2-yl]benzamide
CID 55609498
N-[2-methoxy-1-(oxolan-2-yl)ethyl]-2-(2-nitrophenoxy)acetamide
CID 119036775

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(1S)-2-methoxy-1-[(2R)-oxolan-2-yl]ethyl]-2-methylbenzamide?
The IUPAC name of 4-chloro-N-[(1S)-2-methoxy-1-[(2R)-oxolan-2-yl]ethyl]-2-methylbenzamide (CID 129479879) is 4-chloro-N-[(1S)-2-methoxy-1-[(2R)-oxolan-2-yl]ethyl]-2-methylbenzamide.
What is the SMILES notation for 4-chloro-N-[(1S)-2-methoxy-1-[(2R)-oxolan-2-yl]ethyl]-2-methylbenzamide?
The canonical SMILES for 4-chloro-N-[(1S)-2-methoxy-1-[(2R)-oxolan-2-yl]ethyl]-2-methylbenzamide is COC[C@H](NC(=O)c1ccc(Cl)cc1C)[C@H]1CCCO1.
What is the InChIKey of 4-chloro-N-[(1S)-2-methoxy-1-[(2R)-oxolan-2-yl]ethyl]-2-methylbenzamide?
The InChIKey is ROVOLENKCCBMGQ-UONOGXRCSA-N. The full InChI is InChI=1S/C15H20ClNO3/c1-10-8-11(16)5-6-12(10)15(18)17-13(9-19-2)14-4-3-7-20-14/h5-6,8,13-14H,3-4,7,9H2,1-2H3,(H,17,18)/t13-,14+/m0/s1.
What are the key properties of 4-chloro-N-[(1S)-2-methoxy-1-[(2R)-oxolan-2-yl]ethyl]-2-methylbenzamide?
4-chloro-N-[(1S)-2-methoxy-1-[(2R)-oxolan-2-yl]ethyl]-2-methylbenzamide has a molecular weight of 297.78 g/mol, XLogP of 2.57, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(1S)-2-methoxy-1-[(2R)-oxolan-2-yl]ethyl]-2-methylbenzamide is sourced from PubChem (CID 129479879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).