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

C14H18ClNO4 — CID 154846082

IUPAC4-chloro-3-hydroxy-N-[2-methoxy-1-(oxolan-2-yl)ethyl]benzamide
SMILESCOCC(NC(=O)c1ccc(Cl)c(O)c1)C1CCCO1
InChIInChI=1S/C14H18ClNO4/c1-19-8-11(13-3-2-6-20-13)16-14(18)9-4-5-10(15)12(17)7-9/h4-5,7,11,13,17H,2-3,6,8H2,1H3,(H,16,18)
InChIKeyPLZRHMPORRVTOH-UHFFFAOYSA-N
MW299.75 g/mol
LogP1.97
Rot. Bonds5

About 4-chloro-3-hydroxy-N-[2-methoxy-1-(oxolan-2-yl)ethyl]benzamide

4-chloro-3-hydroxy-N-[2-methoxy-1-(oxolan-2-yl)ethyl]benzamide (PubChem CID 154846082) has the molecular formula C14H18ClNO4 and a molecular weight of 299.75 g/mol. Its IUPAC name is 4-chloro-3-hydroxy-N-[2-methoxy-1-(oxolan-2-yl)ethyl]benzamide.

Molecular Properties

Compound Name4-chloro-3-hydroxy-N-[2-methoxy-1-(oxolan-2-yl)ethyl]benzamide
PubChem CID154846082
Molecular FormulaC14H18ClNO4
Molecular Weight299.75 g/mol
Exact Mass299.09
IUPAC Name4-chloro-3-hydroxy-N-[2-methoxy-1-(oxolan-2-yl)ethyl]benzamide
SMILESCOCC(NC(=O)c1ccc(Cl)c(O)c1)C1CCCO1
InChIInChI=1S/C14H18ClNO4/c1-19-8-11(13-3-2-6-20-13)16-14(18)9-4-5-10(15)12(17)7-9/h4-5,7,11,13,17H,2-3,6,8H2,1H3,(H,16,18)
InChIKeyPLZRHMPORRVTOH-UHFFFAOYSA-N
XLogP1.97
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.75
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-N-[(1S)-2-methoxy-1-[(2R)-oxolan-2-yl]ethyl]-2-methylbenzamide
CID 129479879
3-hydroxy-4-iodo-N-[1-(oxolan-2-yl)ethyl]benzamide
CID 104627700
2-(cyclopropylamino)-N-[(1S)-2-methoxy-1-[(2S)-oxolan-2-yl]ethyl]-1,3-thiazole-4-carboxamide
CID 100735934
3-chloro-4-iodo-N-[1-(oxolan-2-yl)ethyl]benzamide
CID 103735000
4-chloro-3-methylsulfonyl-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]benzamide
CID 35230890
N-[2-methoxy-1-(oxolan-2-yl)ethyl]-2-[2-(2,2,2-trifluoroethoxy)phenoxy]acetamide
CID 119036778
3-chloro-4-hydroxy-N-[(2S)-4-[(2S)-oxolan-2-yl]butan-2-yl]benzamide
CID 94820204
N-[2-methoxy-1-(oxolan-2-yl)ethyl]-2-(2-nitrophenoxy)acetamide
CID 119036775
N-[(1R)-2-methoxy-1-[(2S)-oxolan-2-yl]ethyl]-2-(2-nitrophenoxy)acetamide
CID 100735557
2-(3,4-dichlorophenyl)-N-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]acetamide
CID 29038254
N-[1-(oxolan-2-yl)ethyl]-4-propan-2-ylbenzamide
CID 6468560
4-(chloromethyl)-N-[1-(oxolan-2-yl)ethyl]benzamide
CID 43533877

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-hydroxy-N-[2-methoxy-1-(oxolan-2-yl)ethyl]benzamide?
The IUPAC name of 4-chloro-3-hydroxy-N-[2-methoxy-1-(oxolan-2-yl)ethyl]benzamide (CID 154846082) is 4-chloro-3-hydroxy-N-[2-methoxy-1-(oxolan-2-yl)ethyl]benzamide.
What is the SMILES notation for 4-chloro-3-hydroxy-N-[2-methoxy-1-(oxolan-2-yl)ethyl]benzamide?
The canonical SMILES for 4-chloro-3-hydroxy-N-[2-methoxy-1-(oxolan-2-yl)ethyl]benzamide is COCC(NC(=O)c1ccc(Cl)c(O)c1)C1CCCO1.
What is the InChIKey of 4-chloro-3-hydroxy-N-[2-methoxy-1-(oxolan-2-yl)ethyl]benzamide?
The InChIKey is PLZRHMPORRVTOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNO4/c1-19-8-11(13-3-2-6-20-13)16-14(18)9-4-5-10(15)12(17)7-9/h4-5,7,11,13,17H,2-3,6,8H2,1H3,(H,16,18).
What are the key properties of 4-chloro-3-hydroxy-N-[2-methoxy-1-(oxolan-2-yl)ethyl]benzamide?
4-chloro-3-hydroxy-N-[2-methoxy-1-(oxolan-2-yl)ethyl]benzamide has a molecular weight of 299.75 g/mol, XLogP of 1.97, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-hydroxy-N-[2-methoxy-1-(oxolan-2-yl)ethyl]benzamide is sourced from PubChem (CID 154846082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).