2,5-dichloro-N-[(4-hydroxyoxan-4-yl)methyl]benzamide

C13H15Cl2NO3 — CID 71989539

IUPAC2,5-dichloro-N-[(4-hydroxyoxan-4-yl)methyl]benzamide
SMILESO=C(NCC1(O)CCOCC1)c1cc(Cl)ccc1Cl
InChIInChI=1S/C13H15Cl2NO3/c14-9-1-2-11(15)10(7-9)12(17)16-8-13(18)3-5-19-6-4-13/h1-2,7,18H,3-6,8H2,(H,16,17)
InChIKeyNIVQDLUUQLYPCS-UHFFFAOYSA-N
MW304.17 g/mol
LogP2.26
Rot. Bonds3

About 2,5-dichloro-N-[(4-hydroxyoxan-4-yl)methyl]benzamide

2,5-dichloro-N-[(4-hydroxyoxan-4-yl)methyl]benzamide (PubChem CID 71989539) has the molecular formula C13H15Cl2NO3 and a molecular weight of 304.17 g/mol. Its IUPAC name is 2,5-dichloro-N-[(4-hydroxyoxan-4-yl)methyl]benzamide.

Molecular Properties

Compound Name2,5-dichloro-N-[(4-hydroxyoxan-4-yl)methyl]benzamide
PubChem CID71989539
Molecular FormulaC13H15Cl2NO3
Molecular Weight304.17 g/mol
Exact Mass303.04
IUPAC Name2,5-dichloro-N-[(4-hydroxyoxan-4-yl)methyl]benzamide
SMILESO=C(NCC1(O)CCOCC1)c1cc(Cl)ccc1Cl
InChIInChI=1S/C13H15Cl2NO3/c14-9-1-2-11(15)10(7-9)12(17)16-8-13(18)3-5-19-6-4-13/h1-2,7,18H,3-6,8H2,(H,16,17)
InChIKeyNIVQDLUUQLYPCS-UHFFFAOYSA-N
XLogP2.26
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.17
LogP ≤ 52.26
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
2,4-dichloro-5-fluoro-N-[(4-hydroxyoxan-4-yl)methyl]benzamide
CID 79039031
5-chloro-N-[(3-hydroxyoxolan-3-yl)methyl]-2-methylbenzamide
CID 113337983
2,5-dichloro-N-[(4-phenyloxan-4-yl)methyl]benzamide
CID 27448808
4-amino-2-chloro-N-[(4-hydroxyoxan-4-yl)methyl]benzamide
CID 81133927
2-chloro-4,5-difluoro-N-[(3-hydroxyoxolan-3-yl)methyl]benzamide
CID 103848658
2,5-dichloro-N-[(4-phenylsulfanyloxan-4-yl)methyl]benzamide
CID 72716994
2,5-dichloro-N-[(4-hydroxyoxan-4-yl)methyl]thiophene-3-carboxamide
CID 103712060
2,5-dichloro-N-[(1-morpholin-4-ylcyclobutyl)methyl]benzamide
CID 139027826
2,5-dichloro-N-[(4-thiophen-2-yloxan-4-yl)methyl]benzamide
CID 30943783
3,6-dichloro-N-[(4-hydroxyoxan-4-yl)methyl]pyridine-2-carboxamide
CID 79038761
2-chloro-N-[(4-hydroxyoxan-4-yl)methyl]-4-nitrobenzamide
CID 79037452

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-[(4-hydroxyoxan-4-yl)methyl]benzamide?
The IUPAC name of 2,5-dichloro-N-[(4-hydroxyoxan-4-yl)methyl]benzamide (CID 71989539) is 2,5-dichloro-N-[(4-hydroxyoxan-4-yl)methyl]benzamide.
What is the SMILES notation for 2,5-dichloro-N-[(4-hydroxyoxan-4-yl)methyl]benzamide?
The canonical SMILES for 2,5-dichloro-N-[(4-hydroxyoxan-4-yl)methyl]benzamide is O=C(NCC1(O)CCOCC1)c1cc(Cl)ccc1Cl.
What is the InChIKey of 2,5-dichloro-N-[(4-hydroxyoxan-4-yl)methyl]benzamide?
The InChIKey is NIVQDLUUQLYPCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15Cl2NO3/c14-9-1-2-11(15)10(7-9)12(17)16-8-13(18)3-5-19-6-4-13/h1-2,7,18H,3-6,8H2,(H,16,17).
What are the key properties of 2,5-dichloro-N-[(4-hydroxyoxan-4-yl)methyl]benzamide?
2,5-dichloro-N-[(4-hydroxyoxan-4-yl)methyl]benzamide has a molecular weight of 304.17 g/mol, XLogP of 2.26, 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-[(4-hydroxyoxan-4-yl)methyl]benzamide is sourced from PubChem (CID 71989539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).