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

C13H16ClNO3 — CID 113337958

IUPAC2-chloro-N-[(3-hydroxyoxolan-3-yl)methyl]-3-methylbenzamide
SMILESCc1cccc(C(=O)NCC2(O)CCOC2)c1Cl
InChIInChI=1S/C13H16ClNO3/c1-9-3-2-4-10(11(9)14)12(16)15-7-13(17)5-6-18-8-13/h2-4,17H,5-8H2,1H3,(H,15,16)
InChIKeyZWDNBQMFDJELON-UHFFFAOYSA-N
MW269.73 g/mol
LogP1.53
Rot. Bonds3

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

2-chloro-N-[(3-hydroxyoxolan-3-yl)methyl]-3-methylbenzamide (PubChem CID 113337958) has the molecular formula C13H16ClNO3 and a molecular weight of 269.73 g/mol. Its IUPAC name is 2-chloro-N-[(3-hydroxyoxolan-3-yl)methyl]-3-methylbenzamide.

Molecular Properties

Compound Name2-chloro-N-[(3-hydroxyoxolan-3-yl)methyl]-3-methylbenzamide
PubChem CID113337958
Molecular FormulaC13H16ClNO3
Molecular Weight269.73 g/mol
Exact Mass269.08
IUPAC Name2-chloro-N-[(3-hydroxyoxolan-3-yl)methyl]-3-methylbenzamide
SMILESCc1cccc(C(=O)NCC2(O)CCOC2)c1Cl
InChIInChI=1S/C13H16ClNO3/c1-9-3-2-4-10(11(9)14)12(16)15-7-13(17)5-6-18-8-13/h2-4,17H,5-8H2,1H3,(H,15,16)
InChIKeyZWDNBQMFDJELON-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

5-chloro-N-[(3-hydroxyoxolan-3-yl)methyl]-2-methylbenzamide
CID 113337983
2,6-dichloro-N-[(3-hydroxyoxolan-3-yl)methyl]benzamide
CID 103849383
2-chloro-N-[(3-hydroxythiolan-3-yl)methyl]-3-methylbenzamide
CID 109399417
2,5-dichloro-N-[(3-hydroxyoxolan-3-yl)methyl]benzamide
CID 103848688
1-[[(3R)-3-hydroxyoxolan-3-yl]methyl]-3-(2-methylphenyl)urea
CID 129397872
N-[(3-hydroxyoxolan-3-yl)methyl]-3-methyl-1,2-thiazole-4-carboxamide
CID 136521180
2-chloro-4,5-difluoro-N-[(3-hydroxyoxolan-3-yl)methyl]benzamide
CID 103848658
N-[(3-hydroxyoxolan-3-yl)methyl]-2-methoxypyridine-3-carboxamide
CID 113337975
2-chloro-N-[[1-(methoxymethyl)cyclopentyl]methyl]-3-methylbenzamide
CID 91774714
3-amino-N-[(3-hydroxyoxolan-3-yl)methyl]naphthalene-2-carboxamide
CID 106101486
3-bromo-N-[(3-hydroxyoxolan-3-yl)methyl]-4-methylbenzamide
CID 103849475
N-[(3-hydroxyoxolan-3-yl)methyl]-2-prop-2-enoxybenzamide
CID 103849206

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(3-hydroxyoxolan-3-yl)methyl]-3-methylbenzamide?
The IUPAC name of 2-chloro-N-[(3-hydroxyoxolan-3-yl)methyl]-3-methylbenzamide (CID 113337958) is 2-chloro-N-[(3-hydroxyoxolan-3-yl)methyl]-3-methylbenzamide.
What is the SMILES notation for 2-chloro-N-[(3-hydroxyoxolan-3-yl)methyl]-3-methylbenzamide?
The canonical SMILES for 2-chloro-N-[(3-hydroxyoxolan-3-yl)methyl]-3-methylbenzamide is Cc1cccc(C(=O)NCC2(O)CCOC2)c1Cl.
What is the InChIKey of 2-chloro-N-[(3-hydroxyoxolan-3-yl)methyl]-3-methylbenzamide?
The InChIKey is ZWDNBQMFDJELON-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClNO3/c1-9-3-2-4-10(11(9)14)12(16)15-7-13(17)5-6-18-8-13/h2-4,17H,5-8H2,1H3,(H,15,16).
What are the key properties of 2-chloro-N-[(3-hydroxyoxolan-3-yl)methyl]-3-methylbenzamide?
2-chloro-N-[(3-hydroxyoxolan-3-yl)methyl]-3-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 2-chloro-N-[(3-hydroxyoxolan-3-yl)methyl]-3-methylbenzamide is sourced from PubChem (CID 113337958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).