4-chloro-N-(oxan-2-yloxy)benzamide

C12H14ClNO3 — CID 51103118

IUPAC4-chloro-N-(oxan-2-yloxy)benzamide
SMILESO=C(NOC1CCCCO1)c1ccc(Cl)cc1
InChIInChI=1S/C12H14ClNO3/c13-10-6-4-9(5-7-10)12(15)14-17-11-3-1-2-8-16-11/h4-7,11H,1-3,8H2,(H,14,15)
InChIKeyLYQANTUNZBNFGE-UHFFFAOYSA-N
MW255.70 g/mol
LogP2.53
Rot. Bonds3

About 4-chloro-N-(oxan-2-yloxy)benzamide

4-chloro-N-(oxan-2-yloxy)benzamide (PubChem CID 51103118) has the molecular formula C12H14ClNO3 and a molecular weight of 255.70 g/mol. Its IUPAC name is 4-chloro-N-(oxan-2-yloxy)benzamide.

Molecular Properties

Compound Name4-chloro-N-(oxan-2-yloxy)benzamide
PubChem CID51103118
Molecular FormulaC12H14ClNO3
Molecular Weight255.70 g/mol
Exact Mass255.07
IUPAC Name4-chloro-N-(oxan-2-yloxy)benzamide
SMILESO=C(NOC1CCCCO1)c1ccc(Cl)cc1
InChIInChI=1S/C12H14ClNO3/c13-10-6-4-9(5-7-10)12(15)14-17-11-3-1-2-8-16-11/h4-7,11H,1-3,8H2,(H,14,15)
InChIKeyLYQANTUNZBNFGE-UHFFFAOYSA-N
XLogP2.53
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.70
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(4-chlorobenzoyl)-N-[(2S)-oxan-2-yl]oxybenzamide
CID 52828045
4-chloro-2-fluoro-N-[(2S)-oxan-2-yl]oxybenzamide
CID 52828159
4-(dimethylsulfamoyl)-N-[(2R)-oxan-2-yl]oxybenzamide
CID 94824413
4-(dimethylsulfamoyl)-N-(oxan-2-yloxy)benzamide
CID 51103221
1-[(2R,3R)-2-(4-chlorophenyl)oxolan-3-yl]-3-[(2R)-oxan-2-yl]oxyurea
CID 99717936
2,4-difluoro-N-[(2R)-oxan-2-yl]oxybenzamide
CID 94817259
ethyl (E)-3-[4-(oxan-2-yloxycarbamoyl)phenyl]prop-2-enoate
CID 142704315
5-(oxan-2-yloxycarbamoyl)-1,3-dihydroisoindole-2-carboxylic acid
CID 123685392
3-benzamido-4-methyl-N-[(2S)-oxan-2-yl]oxybenzamide
CID 52829145
N-[(2S)-oxan-2-yl]oxy-4-(3-phenylpropanoylamino)benzamide
CID 175242104
1-methyl-N-[(2S)-oxan-2-yl]oxypyrazole-4-carboxamide
CID 94825511
1-methyl-N-(oxan-2-yloxy)pyrazole-4-carboxamide
CID 51103148

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(oxan-2-yloxy)benzamide?
The IUPAC name of 4-chloro-N-(oxan-2-yloxy)benzamide (CID 51103118) is 4-chloro-N-(oxan-2-yloxy)benzamide.
What is the SMILES notation for 4-chloro-N-(oxan-2-yloxy)benzamide?
The canonical SMILES for 4-chloro-N-(oxan-2-yloxy)benzamide is O=C(NOC1CCCCO1)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-(oxan-2-yloxy)benzamide?
The InChIKey is LYQANTUNZBNFGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClNO3/c13-10-6-4-9(5-7-10)12(15)14-17-11-3-1-2-8-16-11/h4-7,11H,1-3,8H2,(H,14,15).
What are the key properties of 4-chloro-N-(oxan-2-yloxy)benzamide?
4-chloro-N-(oxan-2-yloxy)benzamide has a molecular weight of 255.70 g/mol, XLogP of 2.53, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(oxan-2-yloxy)benzamide is sourced from PubChem (CID 51103118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).