2,4-dichloro-N-(oxan-4-ylmethyl)benzamide

C13H15Cl2NO2 — CID 110736396

IUPAC2,4-dichloro-N-(oxan-4-ylmethyl)benzamide
SMILESO=C(NCC1CCOCC1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C13H15Cl2NO2/c14-10-1-2-11(12(15)7-10)13(17)16-8-9-3-5-18-6-4-9/h1-2,7,9H,3-6,8H2,(H,16,17)
InChIKeyFGIQYJCVKJNDFA-UHFFFAOYSA-N
MW288.17 g/mol
LogP3.15
Rot. Bonds3

About 2,4-dichloro-N-(oxan-4-ylmethyl)benzamide

2,4-dichloro-N-(oxan-4-ylmethyl)benzamide (PubChem CID 110736396) has the molecular formula C13H15Cl2NO2 and a molecular weight of 288.17 g/mol. Its IUPAC name is 2,4-dichloro-N-(oxan-4-ylmethyl)benzamide.

Molecular Properties

Compound Name2,4-dichloro-N-(oxan-4-ylmethyl)benzamide
PubChem CID110736396
Molecular FormulaC13H15Cl2NO2
Molecular Weight288.17 g/mol
Exact Mass287.05
IUPAC Name2,4-dichloro-N-(oxan-4-ylmethyl)benzamide
SMILESO=C(NCC1CCOCC1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C13H15Cl2NO2/c14-10-1-2-11(12(15)7-10)13(17)16-8-9-3-5-18-6-4-9/h1-2,7,9H,3-6,8H2,(H,16,17)
InChIKeyFGIQYJCVKJNDFA-UHFFFAOYSA-N
XLogP3.15
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.17
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-2-hydroxy-N-(oxan-4-ylmethyl)benzamide
CID 62328293
4-chloro-N-(oxan-4-ylmethyl)benzamide
CID 110736386
4-amino-2-chloro-N-(oxolan-3-ylmethyl)benzamide
CID 61112400
1-(2,4-dichlorophenyl)-3-(oxan-4-ylmethyl)urea
CID 108912758
2,4-dichloro-N-(oxiran-2-ylmethyl)benzamide
CID 102548411
3,4-dichloro-N-(oxan-4-ylmethyl)benzamide
CID 110736364
2-amino-4-chloro-N-(cyclopropylmethyl)benzamide
CID 16793100
2-fluoro-4-methoxy-N-(oxan-4-ylmethyl)benzamide
CID 113228962
4-amino-2-chloro-N-[2-(oxan-4-yl)ethyl]benzamide
CID 119724818
3-bromo-2-chloro-N-(oxan-4-ylmethyl)benzamide
CID 113362409
4-bromo-3-chloro-N-(oxan-4-ylmethyl)benzamide
CID 80998003
4-chloro-N-[(4-chlorocyclohexyl)methyl]-2-methylbenzamide
CID 106134057

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-(oxan-4-ylmethyl)benzamide?
The IUPAC name of 2,4-dichloro-N-(oxan-4-ylmethyl)benzamide (CID 110736396) is 2,4-dichloro-N-(oxan-4-ylmethyl)benzamide.
What is the SMILES notation for 2,4-dichloro-N-(oxan-4-ylmethyl)benzamide?
The canonical SMILES for 2,4-dichloro-N-(oxan-4-ylmethyl)benzamide is O=C(NCC1CCOCC1)c1ccc(Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-N-(oxan-4-ylmethyl)benzamide?
The InChIKey is FGIQYJCVKJNDFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15Cl2NO2/c14-10-1-2-11(12(15)7-10)13(17)16-8-9-3-5-18-6-4-9/h1-2,7,9H,3-6,8H2,(H,16,17).
What are the key properties of 2,4-dichloro-N-(oxan-4-ylmethyl)benzamide?
2,4-dichloro-N-(oxan-4-ylmethyl)benzamide has a molecular weight of 288.17 g/mol, XLogP of 3.15, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-(oxan-4-ylmethyl)benzamide is sourced from PubChem (CID 110736396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).