5-chloro-N-[(3-hydroxyoxolan-3-yl)methyl]-2-methylbenzamide

C13H16ClNO3 — CID 113337983

IUPAC5-chloro-N-[(3-hydroxyoxolan-3-yl)methyl]-2-methylbenzamide
SMILESCc1ccc(Cl)cc1C(=O)NCC1(O)CCOC1
InChIInChI=1S/C13H16ClNO3/c1-9-2-3-10(14)6-11(9)12(16)15-7-13(17)4-5-18-8-13/h2-3,6,17H,4-5,7-8H2,1H3,(H,15,16)
InChIKeyIGJOJTZOYDWBGC-UHFFFAOYSA-N
MW269.73 g/mol
LogP1.53
Rot. Bonds3

About 5-chloro-N-[(3-hydroxyoxolan-3-yl)methyl]-2-methylbenzamide

5-chloro-N-[(3-hydroxyoxolan-3-yl)methyl]-2-methylbenzamide (PubChem CID 113337983) has the molecular formula C13H16ClNO3 and a molecular weight of 269.73 g/mol. Its IUPAC name is 5-chloro-N-[(3-hydroxyoxolan-3-yl)methyl]-2-methylbenzamide.

Molecular Properties

Compound Name5-chloro-N-[(3-hydroxyoxolan-3-yl)methyl]-2-methylbenzamide
PubChem CID113337983
Molecular FormulaC13H16ClNO3
Molecular Weight269.73 g/mol
Exact Mass269.08
IUPAC Name5-chloro-N-[(3-hydroxyoxolan-3-yl)methyl]-2-methylbenzamide
SMILESCc1ccc(Cl)cc1C(=O)NCC1(O)CCOC1
InChIInChI=1S/C13H16ClNO3/c1-9-2-3-10(14)6-11(9)12(16)15-7-13(17)4-5-18-8-13/h2-3,6,17H,4-5,7-8H2,1H3,(H,15,16)
InChIKeyIGJOJTZOYDWBGC-UHFFFAOYSA-N
XLogP1.53
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 ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,5-dichloro-N-[(3-hydroxyoxolan-3-yl)methyl]benzamide
CID 103848688
2,5-dichloro-N-[(4-hydroxyoxan-4-yl)methyl]benzamide
CID 71989539
2-chloro-N-[(3-hydroxyoxolan-3-yl)methyl]-3-methylbenzamide
CID 113337958
2-chloro-4,5-difluoro-N-[(3-hydroxyoxolan-3-yl)methyl]benzamide
CID 103848658
2,5-difluoro-N-[(3-hydroxyoxolan-3-yl)methyl]benzamide
CID 113337991
N-(5-chloro-2-methylphenyl)-2-[(3-hydroxyoxolan-3-yl)methylamino]acetamide
CID 106100732
3-bromo-N-[(3-hydroxyoxolan-3-yl)methyl]-4-methylbenzamide
CID 103849475
2,6-dichloro-N-[(3-hydroxyoxolan-3-yl)methyl]benzamide
CID 103849383
1-(3,4-dimethylphenyl)-3-[[(3S)-3-hydroxyoxolan-3-yl]methyl]urea
CID 129397875
3-chloro-N-[(4-hydroxyoxan-4-yl)methyl]-4-methylbenzamide
CID 79040021
2,5-dibromo-N-[(3-hydroxyoxolan-3-yl)methyl]benzamide
CID 104920466
3-amino-5-chloro-N-[(3-hydroxyoxolan-3-yl)methyl]benzamide
CID 106099030

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(3-hydroxyoxolan-3-yl)methyl]-2-methylbenzamide?
The IUPAC name of 5-chloro-N-[(3-hydroxyoxolan-3-yl)methyl]-2-methylbenzamide (CID 113337983) is 5-chloro-N-[(3-hydroxyoxolan-3-yl)methyl]-2-methylbenzamide.
What is the SMILES notation for 5-chloro-N-[(3-hydroxyoxolan-3-yl)methyl]-2-methylbenzamide?
The canonical SMILES for 5-chloro-N-[(3-hydroxyoxolan-3-yl)methyl]-2-methylbenzamide is Cc1ccc(Cl)cc1C(=O)NCC1(O)CCOC1.
What is the InChIKey of 5-chloro-N-[(3-hydroxyoxolan-3-yl)methyl]-2-methylbenzamide?
The InChIKey is IGJOJTZOYDWBGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClNO3/c1-9-2-3-10(14)6-11(9)12(16)15-7-13(17)4-5-18-8-13/h2-3,6,17H,4-5,7-8H2,1H3,(H,15,16).
What are the key properties of 5-chloro-N-[(3-hydroxyoxolan-3-yl)methyl]-2-methylbenzamide?
5-chloro-N-[(3-hydroxyoxolan-3-yl)methyl]-2-methylbenzamide has a molecular weight of 269.73 g/mol, XLogP of 1.53, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(3-hydroxyoxolan-3-yl)methyl]-2-methylbenzamide is sourced from PubChem (CID 113337983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).