2,6-dichloro-N-[(3-hydroxyoxolan-3-yl)methyl]benzamide

C12H13Cl2NO3 — CID 103849383

IUPAC2,6-dichloro-N-[(3-hydroxyoxolan-3-yl)methyl]benzamide
SMILESO=C(NCC1(O)CCOC1)c1c(Cl)cccc1Cl
InChIInChI=1S/C12H13Cl2NO3/c13-8-2-1-3-9(14)10(8)11(16)15-6-12(17)4-5-18-7-12/h1-3,17H,4-7H2,(H,15,16)
InChIKeyJNXJYSLBJOBLAN-UHFFFAOYSA-N
MW290.15 g/mol
LogP1.87
Rot. Bonds3

About 2,6-dichloro-N-[(3-hydroxyoxolan-3-yl)methyl]benzamide

2,6-dichloro-N-[(3-hydroxyoxolan-3-yl)methyl]benzamide (PubChem CID 103849383) has the molecular formula C12H13Cl2NO3 and a molecular weight of 290.15 g/mol. Its IUPAC name is 2,6-dichloro-N-[(3-hydroxyoxolan-3-yl)methyl]benzamide.

Molecular Properties

Compound Name2,6-dichloro-N-[(3-hydroxyoxolan-3-yl)methyl]benzamide
PubChem CID103849383
Molecular FormulaC12H13Cl2NO3
Molecular Weight290.15 g/mol
Exact Mass289.03
IUPAC Name2,6-dichloro-N-[(3-hydroxyoxolan-3-yl)methyl]benzamide
SMILESO=C(NCC1(O)CCOC1)c1c(Cl)cccc1Cl
InChIInChI=1S/C12H13Cl2NO3/c13-8-2-1-3-9(14)10(8)11(16)15-6-12(17)4-5-18-7-12/h1-3,17H,4-7H2,(H,15,16)
InChIKeyJNXJYSLBJOBLAN-UHFFFAOYSA-N
XLogP1.87
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.15
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,6-dichloro-N-[(1-hydroxycyclopentyl)methyl]benzamide
CID 65113651
2,5-dichloro-N-[(3-hydroxyoxolan-3-yl)methyl]benzamide
CID 103848688
2-chloro-N-[(3-hydroxyoxolan-3-yl)methyl]-3-methylbenzamide
CID 113337958
3-(2-chlorophenyl)-N-[[(3R)-3-hydroxyoxolan-3-yl]methyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 129471324
2-chloro-4,5-difluoro-N-[(3-hydroxyoxolan-3-yl)methyl]benzamide
CID 103848658
(E)-3-(2-chlorophenyl)-N-[(3-hydroxyoxolan-3-yl)methyl]prop-2-enamide
CID 103848739
3-[(2,6-dichlorophenyl)methyl]oxolan-3-ol
CID 65145520
2,6-dichloro-N-[(3-hydroxyoxolan-3-yl)methyl]benzenesulfonamide
CID 103848090
5-chloro-N-[(3-hydroxyoxolan-3-yl)methyl]-2-methylbenzamide
CID 113337983
N-[(3-hydroxyoxolan-3-yl)methyl]naphthalene-2-carboxamide
CID 103848682
1-(2,3-dichlorophenyl)-3-[(4-hydroxyoxan-4-yl)methyl]urea
CID 110936237
1-[[(3R)-3-hydroxyoxolan-3-yl]methyl]-3-phenylurea
CID 129397628

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-N-[(3-hydroxyoxolan-3-yl)methyl]benzamide?
The IUPAC name of 2,6-dichloro-N-[(3-hydroxyoxolan-3-yl)methyl]benzamide (CID 103849383) is 2,6-dichloro-N-[(3-hydroxyoxolan-3-yl)methyl]benzamide.
What is the SMILES notation for 2,6-dichloro-N-[(3-hydroxyoxolan-3-yl)methyl]benzamide?
The canonical SMILES for 2,6-dichloro-N-[(3-hydroxyoxolan-3-yl)methyl]benzamide is O=C(NCC1(O)CCOC1)c1c(Cl)cccc1Cl.
What is the InChIKey of 2,6-dichloro-N-[(3-hydroxyoxolan-3-yl)methyl]benzamide?
The InChIKey is JNXJYSLBJOBLAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13Cl2NO3/c13-8-2-1-3-9(14)10(8)11(16)15-6-12(17)4-5-18-7-12/h1-3,17H,4-7H2,(H,15,16).
What are the key properties of 2,6-dichloro-N-[(3-hydroxyoxolan-3-yl)methyl]benzamide?
2,6-dichloro-N-[(3-hydroxyoxolan-3-yl)methyl]benzamide has a molecular weight of 290.15 g/mol, XLogP of 1.87, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-N-[(3-hydroxyoxolan-3-yl)methyl]benzamide is sourced from PubChem (CID 103849383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).