4-chloro-2-hydroxy-N-(oxan-4-ylmethyl)benzamide

C13H16ClNO3 — CID 62328293

IUPAC4-chloro-2-hydroxy-N-(oxan-4-ylmethyl)benzamide
SMILESO=C(NCC1CCOCC1)c1ccc(Cl)cc1O
InChIInChI=1S/C13H16ClNO3/c14-10-1-2-11(12(16)7-10)13(17)15-8-9-3-5-18-6-4-9/h1-2,7,9,16H,3-6,8H2,(H,15,17)
InChIKeyAPSJJPNVMLNYSH-UHFFFAOYSA-N
MW269.73 g/mol
LogP2.20
Rot. Bonds3

About 4-chloro-2-hydroxy-N-(oxan-4-ylmethyl)benzamide

4-chloro-2-hydroxy-N-(oxan-4-ylmethyl)benzamide (PubChem CID 62328293) has the molecular formula C13H16ClNO3 and a molecular weight of 269.73 g/mol. Its IUPAC name is 4-chloro-2-hydroxy-N-(oxan-4-ylmethyl)benzamide.

Molecular Properties

Compound Name4-chloro-2-hydroxy-N-(oxan-4-ylmethyl)benzamide
PubChem CID62328293
Molecular FormulaC13H16ClNO3
Molecular Weight269.73 g/mol
Exact Mass269.08
IUPAC Name4-chloro-2-hydroxy-N-(oxan-4-ylmethyl)benzamide
SMILESO=C(NCC1CCOCC1)c1ccc(Cl)cc1O
InChIInChI=1S/C13H16ClNO3/c14-10-1-2-11(12(16)7-10)13(17)15-8-9-3-5-18-6-4-9/h1-2,7,9,16H,3-6,8H2,(H,15,17)
InChIKeyAPSJJPNVMLNYSH-UHFFFAOYSA-N
XLogP2.20
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 ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,4-dichloro-N-(oxan-4-ylmethyl)benzamide
CID 110736396
4-chloro-2-hydroxy-N-[2-(oxolan-3-yl)ethyl]benzamide
CID 113415090
2,4-dihydroxy-N-(oxolan-3-ylmethyl)benzamide
CID 103614166
4-chloro-N-(oxan-4-ylmethyl)benzamide
CID 110736386
N-(cyclopropylmethyl)-2,4-dihydroxybenzamide
CID 103739641
4-chloro-N-(1,4-dioxan-2-ylmethyl)-2-hydroxybenzamide
CID 54908530
1-(5-chloro-2-hydroxyphenyl)-3-(oxan-4-ylmethyl)urea
CID 108912841
4-chloro-N-[[2-(chloromethyl)cyclohexyl]methyl]-2-hydroxybenzamide
CID 114307019
2-amino-4-chloro-N-(cyclopropylmethyl)benzamide
CID 16793100
4-chloro-2-hydroxy-N-[[(2S,5R)-1-methyl-5-(2-morpholin-4-yl-2-oxoethyl)pyrrolidin-2-yl]methyl]benzamide
CID 171386005
4-chloro-N-[3-(cyclopropylmethoxy)propyl]-2-hydroxybenzamide
CID 103606116
2-fluoro-4-methoxy-N-(oxan-4-ylmethyl)benzamide
CID 113228962

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-hydroxy-N-(oxan-4-ylmethyl)benzamide?
The IUPAC name of 4-chloro-2-hydroxy-N-(oxan-4-ylmethyl)benzamide (CID 62328293) is 4-chloro-2-hydroxy-N-(oxan-4-ylmethyl)benzamide.
What is the SMILES notation for 4-chloro-2-hydroxy-N-(oxan-4-ylmethyl)benzamide?
The canonical SMILES for 4-chloro-2-hydroxy-N-(oxan-4-ylmethyl)benzamide is O=C(NCC1CCOCC1)c1ccc(Cl)cc1O.
What is the InChIKey of 4-chloro-2-hydroxy-N-(oxan-4-ylmethyl)benzamide?
The InChIKey is APSJJPNVMLNYSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClNO3/c14-10-1-2-11(12(16)7-10)13(17)15-8-9-3-5-18-6-4-9/h1-2,7,9,16H,3-6,8H2,(H,15,17).
What are the key properties of 4-chloro-2-hydroxy-N-(oxan-4-ylmethyl)benzamide?
4-chloro-2-hydroxy-N-(oxan-4-ylmethyl)benzamide has a molecular weight of 269.73 g/mol, XLogP of 2.20, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-hydroxy-N-(oxan-4-ylmethyl)benzamide is sourced from PubChem (CID 62328293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).