3-chloro-4-hydroxy-N-methyl-N-(oxan-3-ylmethyl)benzamide

C14H18ClNO3 — CID 63706362

IUPAC3-chloro-4-hydroxy-N-methyl-N-(oxan-3-ylmethyl)benzamide
SMILESCN(CC1CCCOC1)C(=O)c1ccc(O)c(Cl)c1
InChIInChI=1S/C14H18ClNO3/c1-16(8-10-3-2-6-19-9-10)14(18)11-4-5-13(17)12(15)7-11/h4-5,7,10,17H,2-3,6,8-9H2,1H3
InChIKeyFFUXJROPNUFMOK-UHFFFAOYSA-N
MW283.75 g/mol
LogP2.54
Rot. Bonds3

About 3-chloro-4-hydroxy-N-methyl-N-(oxan-3-ylmethyl)benzamide

3-chloro-4-hydroxy-N-methyl-N-(oxan-3-ylmethyl)benzamide (PubChem CID 63706362) has the molecular formula C14H18ClNO3 and a molecular weight of 283.75 g/mol. Its IUPAC name is 3-chloro-4-hydroxy-N-methyl-N-(oxan-3-ylmethyl)benzamide.

Molecular Properties

Compound Name3-chloro-4-hydroxy-N-methyl-N-(oxan-3-ylmethyl)benzamide
PubChem CID63706362
Molecular FormulaC14H18ClNO3
Molecular Weight283.75 g/mol
Exact Mass283.10
IUPAC Name3-chloro-4-hydroxy-N-methyl-N-(oxan-3-ylmethyl)benzamide
SMILESCN(CC1CCCOC1)C(=O)c1ccc(O)c(Cl)c1
InChIInChI=1S/C14H18ClNO3/c1-16(8-10-3-2-6-19-9-10)14(18)11-4-5-13(17)12(15)7-11/h4-5,7,10,17H,2-3,6,8-9H2,1H3
InChIKeyFFUXJROPNUFMOK-UHFFFAOYSA-N
XLogP2.54
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.75
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-hydroxy-4-methoxy-N-methyl-N-(oxan-3-ylmethyl)benzamide
CID 79673553
4-acetyl-N-methyl-N-(oxan-3-ylmethyl)benzamide
CID 75370788
N-methyl-N-(oxan-3-ylmethyl)-4-sulfanylbenzamide
CID 107030003
6-chloro-N-methyl-N-(oxan-3-ylmethyl)pyridine-3-carboxamide
CID 63711414
3-amino-4-bromo-N-methyl-N-(oxan-3-ylmethyl)benzamide
CID 63727084
3-bromo-5-chloro-N-methyl-N-(oxan-3-ylmethyl)benzamide
CID 103826926
3,5-diamino-N-methyl-N-(oxan-3-ylmethyl)benzamide
CID 55225636
2-hydroxy-5-methoxy-N-methyl-N-(oxan-3-ylmethyl)benzamide
CID 63706198
1-[3-chloro-4-[methyl(oxan-3-ylmethyl)amino]phenyl]ethanone
CID 55226624
5-chloro-2-fluoro-N-methyl-N-(oxan-3-ylmethyl)benzamide
CID 63713162
3-amino-4-ethoxy-N-methyl-N-(oxan-3-ylmethyl)benzamide
CID 63725532
6-amino-N-methyl-N-(oxan-3-ylmethyl)pyridine-3-carboxamide
CID 63706952

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-hydroxy-N-methyl-N-(oxan-3-ylmethyl)benzamide?
The IUPAC name of 3-chloro-4-hydroxy-N-methyl-N-(oxan-3-ylmethyl)benzamide (CID 63706362) is 3-chloro-4-hydroxy-N-methyl-N-(oxan-3-ylmethyl)benzamide.
What is the SMILES notation for 3-chloro-4-hydroxy-N-methyl-N-(oxan-3-ylmethyl)benzamide?
The canonical SMILES for 3-chloro-4-hydroxy-N-methyl-N-(oxan-3-ylmethyl)benzamide is CN(CC1CCCOC1)C(=O)c1ccc(O)c(Cl)c1.
What is the InChIKey of 3-chloro-4-hydroxy-N-methyl-N-(oxan-3-ylmethyl)benzamide?
The InChIKey is FFUXJROPNUFMOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNO3/c1-16(8-10-3-2-6-19-9-10)14(18)11-4-5-13(17)12(15)7-11/h4-5,7,10,17H,2-3,6,8-9H2,1H3.
What are the key properties of 3-chloro-4-hydroxy-N-methyl-N-(oxan-3-ylmethyl)benzamide?
3-chloro-4-hydroxy-N-methyl-N-(oxan-3-ylmethyl)benzamide has a molecular weight of 283.75 g/mol, XLogP of 2.54, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-hydroxy-N-methyl-N-(oxan-3-ylmethyl)benzamide is sourced from PubChem (CID 63706362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).