2,5-dichloro-N-[(3-hydroxyoxolan-3-yl)methyl]benzamide

C12H13Cl2NO3 — CID 103848688

IUPAC2,5-dichloro-N-[(3-hydroxyoxolan-3-yl)methyl]benzamide
SMILESO=C(NCC1(O)CCOC1)c1cc(Cl)ccc1Cl
InChIInChI=1S/C12H13Cl2NO3/c13-8-1-2-10(14)9(5-8)11(16)15-6-12(17)3-4-18-7-12/h1-2,5,17H,3-4,6-7H2,(H,15,16)
InChIKeyCPSFHNBVIYWVHT-UHFFFAOYSA-N
MW290.15 g/mol
LogP1.87
Rot. Bonds3

About 2,5-dichloro-N-[(3-hydroxyoxolan-3-yl)methyl]benzamide

2,5-dichloro-N-[(3-hydroxyoxolan-3-yl)methyl]benzamide (PubChem CID 103848688) has the molecular formula C12H13Cl2NO3 and a molecular weight of 290.15 g/mol. Its IUPAC name is 2,5-dichloro-N-[(3-hydroxyoxolan-3-yl)methyl]benzamide.

Molecular Properties

Compound Name2,5-dichloro-N-[(3-hydroxyoxolan-3-yl)methyl]benzamide
PubChem CID103848688
Molecular FormulaC12H13Cl2NO3
Molecular Weight290.15 g/mol
Exact Mass289.03
IUPAC Name2,5-dichloro-N-[(3-hydroxyoxolan-3-yl)methyl]benzamide
SMILESO=C(NCC1(O)CCOC1)c1cc(Cl)ccc1Cl
InChIInChI=1S/C12H13Cl2NO3/c13-8-1-2-10(14)9(5-8)11(16)15-6-12(17)3-4-18-7-12/h1-2,5,17H,3-4,6-7H2,(H,15,16)
InChIKeyCPSFHNBVIYWVHT-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

2,5-dichloro-N-[(4-hydroxyoxan-4-yl)methyl]benzamide
CID 71989539
5-chloro-N-[(3-hydroxyoxolan-3-yl)methyl]-2-methylbenzamide
CID 113337983
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
2,6-dichloro-N-[(3-hydroxyoxolan-3-yl)methyl]benzamide
CID 103849383
2,4-dichloro-5-fluoro-N-[(4-hydroxyoxan-4-yl)methyl]benzamide
CID 79039031
2-chloro-N-[(3-hydroxyoxolan-3-yl)methyl]-3-methylbenzamide
CID 113337958
2,5-dichloro-N-[(4-phenyloxan-4-yl)methyl]benzamide
CID 27448808
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
3-amino-N-[(3-hydroxyoxolan-3-yl)methyl]naphthalene-2-carboxamide
CID 106101486
2,5-dichloro-N-[(4-phenylsulfanyloxan-4-yl)methyl]benzamide
CID 72716994

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-[(3-hydroxyoxolan-3-yl)methyl]benzamide?
The IUPAC name of 2,5-dichloro-N-[(3-hydroxyoxolan-3-yl)methyl]benzamide (CID 103848688) is 2,5-dichloro-N-[(3-hydroxyoxolan-3-yl)methyl]benzamide.
What is the SMILES notation for 2,5-dichloro-N-[(3-hydroxyoxolan-3-yl)methyl]benzamide?
The canonical SMILES for 2,5-dichloro-N-[(3-hydroxyoxolan-3-yl)methyl]benzamide is O=C(NCC1(O)CCOC1)c1cc(Cl)ccc1Cl.
What is the InChIKey of 2,5-dichloro-N-[(3-hydroxyoxolan-3-yl)methyl]benzamide?
The InChIKey is CPSFHNBVIYWVHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13Cl2NO3/c13-8-1-2-10(14)9(5-8)11(16)15-6-12(17)3-4-18-7-12/h1-2,5,17H,3-4,6-7H2,(H,15,16).
What are the key properties of 2,5-dichloro-N-[(3-hydroxyoxolan-3-yl)methyl]benzamide?
2,5-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 2,5-dichloro-N-[(3-hydroxyoxolan-3-yl)methyl]benzamide is sourced from PubChem (CID 103848688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).