4-chloro-N-(1,4-dioxan-2-ylmethyl)-2-hydroxybenzamide

C12H14ClNO4 — CID 54908530

IUPAC4-chloro-N-(1,4-dioxan-2-ylmethyl)-2-hydroxybenzamide
SMILESO=C(NCC1COCCO1)c1ccc(Cl)cc1O
InChIInChI=1S/C12H14ClNO4/c13-8-1-2-10(11(15)5-8)12(16)14-6-9-7-17-3-4-18-9/h1-2,5,9,15H,3-4,6-7H2,(H,14,16)
InChIKeyGTJDLYIDAGPLIO-UHFFFAOYSA-N
MW271.70 g/mol
LogP1.19
Rot. Bonds3

About 4-chloro-N-(1,4-dioxan-2-ylmethyl)-2-hydroxybenzamide

4-chloro-N-(1,4-dioxan-2-ylmethyl)-2-hydroxybenzamide (PubChem CID 54908530) has the molecular formula C12H14ClNO4 and a molecular weight of 271.70 g/mol. Its IUPAC name is 4-chloro-N-(1,4-dioxan-2-ylmethyl)-2-hydroxybenzamide.

Molecular Properties

Compound Name4-chloro-N-(1,4-dioxan-2-ylmethyl)-2-hydroxybenzamide
PubChem CID54908530
Molecular FormulaC12H14ClNO4
Molecular Weight271.70 g/mol
Exact Mass271.06
IUPAC Name4-chloro-N-(1,4-dioxan-2-ylmethyl)-2-hydroxybenzamide
SMILESO=C(NCC1COCCO1)c1ccc(Cl)cc1O
InChIInChI=1S/C12H14ClNO4/c13-8-1-2-10(11(15)5-8)12(16)14-6-9-7-17-3-4-18-9/h1-2,5,9,15H,3-4,6-7H2,(H,14,16)
InChIKeyGTJDLYIDAGPLIO-UHFFFAOYSA-N
XLogP1.19
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.70
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,4-dioxan-2-ylmethyl)-2-hydroxybenzamide
CID 54908963
4-chloro-2-hydroxy-N-(oxan-4-ylmethyl)benzamide
CID 62328293
2,4-dichloro-N-(oxiran-2-ylmethyl)benzamide
CID 102548411
N-(1,4-dioxan-2-ylmethyl)-2,4-dimethylbenzamide;ethane
CID 178150014
N-(1,4-dioxan-2-ylmethyl)-3-hydroxy-2-methylbenzamide
CID 82829560
N-(1,4-dioxan-2-ylmethyl)-3,4-dihydroxybenzamide
CID 113358419
2-chloro-N-(1,4-dioxan-2-ylmethyl)-4-nitrobenzamide
CID 47296658
4-chloro-2-hydroxy-N-[2-(oxolan-3-yl)ethyl]benzamide
CID 113415090
2-[2-[[(2R)-1,4-dioxan-2-yl]methylcarbamoyl]phenyl]benzoic acid
CID 125120548
N-(1,4-dioxan-2-ylmethyl)-2-hydrazinyl-5-methylbenzamide
CID 62509083
5-chloro-2-hydroxy-N-(morpholin-2-ylmethyl)benzamide
CID 115323836
N-(1,4-dioxan-2-ylmethyl)-5-methyl-2-(methylamino)benzamide
CID 62510212

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(1,4-dioxan-2-ylmethyl)-2-hydroxybenzamide?
The IUPAC name of 4-chloro-N-(1,4-dioxan-2-ylmethyl)-2-hydroxybenzamide (CID 54908530) is 4-chloro-N-(1,4-dioxan-2-ylmethyl)-2-hydroxybenzamide.
What is the SMILES notation for 4-chloro-N-(1,4-dioxan-2-ylmethyl)-2-hydroxybenzamide?
The canonical SMILES for 4-chloro-N-(1,4-dioxan-2-ylmethyl)-2-hydroxybenzamide is O=C(NCC1COCCO1)c1ccc(Cl)cc1O.
What is the InChIKey of 4-chloro-N-(1,4-dioxan-2-ylmethyl)-2-hydroxybenzamide?
The InChIKey is GTJDLYIDAGPLIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClNO4/c13-8-1-2-10(11(15)5-8)12(16)14-6-9-7-17-3-4-18-9/h1-2,5,9,15H,3-4,6-7H2,(H,14,16).
What are the key properties of 4-chloro-N-(1,4-dioxan-2-ylmethyl)-2-hydroxybenzamide?
4-chloro-N-(1,4-dioxan-2-ylmethyl)-2-hydroxybenzamide has a molecular weight of 271.70 g/mol, XLogP of 1.19, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(1,4-dioxan-2-ylmethyl)-2-hydroxybenzamide is sourced from PubChem (CID 54908530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).