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

C13H16ClNO2 — CID 110736386

IUPAC4-chloro-N-(oxan-4-ylmethyl)benzamide
SMILESO=C(NCC1CCOCC1)c1ccc(Cl)cc1
InChIInChI=1S/C13H16ClNO2/c14-12-3-1-11(2-4-12)13(16)15-9-10-5-7-17-8-6-10/h1-4,10H,5-9H2,(H,15,16)
InChIKeyXMYXKWDWCXZKRO-UHFFFAOYSA-N
MW253.73 g/mol
LogP2.50
Rot. Bonds3

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

4-chloro-N-(oxan-4-ylmethyl)benzamide (PubChem CID 110736386) has the molecular formula C13H16ClNO2 and a molecular weight of 253.73 g/mol. Its IUPAC name is 4-chloro-N-(oxan-4-ylmethyl)benzamide.

Molecular Properties

Compound Name4-chloro-N-(oxan-4-ylmethyl)benzamide
PubChem CID110736386
Molecular FormulaC13H16ClNO2
Molecular Weight253.73 g/mol
Exact Mass253.09
IUPAC Name4-chloro-N-(oxan-4-ylmethyl)benzamide
SMILESO=C(NCC1CCOCC1)c1ccc(Cl)cc1
InChIInChI=1S/C13H16ClNO2/c14-12-3-1-11(2-4-12)13(16)15-9-10-5-7-17-8-6-10/h1-4,10H,5-9H2,(H,15,16)
InChIKeyXMYXKWDWCXZKRO-UHFFFAOYSA-N
XLogP2.50
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.73
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-methyl-N-(oxan-4-ylmethyl)benzamide
CID 110736358
4-amino-N-(oxan-4-ylmethyl)benzamide
CID 63727258
3,4-dichloro-N-(oxan-4-ylmethyl)benzamide
CID 110736364
[4-(oxan-4-ylmethylcarbamoyl)phenyl]carbamic acid
CID 90422434
4-bromo-3-chloro-N-(oxan-4-ylmethyl)benzamide
CID 80998003
2,4-dichloro-N-(oxan-4-ylmethyl)benzamide
CID 110736396
4-chloro-2-hydroxy-N-(oxan-4-ylmethyl)benzamide
CID 62328293
3,4,5-trifluoro-N-(oxan-4-ylmethyl)benzamide
CID 63235633
4-[[(4-chlorophenyl)sulfonyl-(3-phenylpropyl)amino]methyl]-N-(oxan-4-ylmethyl)benzamide
CID 66978858
3-bromo-4-methyl-N-(oxan-4-ylmethyl)benzamide
CID 79462678
6-chloro-N-(oxan-4-ylmethyl)pyridazine-3-carboxamide
CID 63712476
4-chloro-N-[4-(cyclopropylmethylamino)-4-oxobutyl]benzamide
CID 46541860

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(oxan-4-ylmethyl)benzamide?
The IUPAC name of 4-chloro-N-(oxan-4-ylmethyl)benzamide (CID 110736386) is 4-chloro-N-(oxan-4-ylmethyl)benzamide.
What is the SMILES notation for 4-chloro-N-(oxan-4-ylmethyl)benzamide?
The canonical SMILES for 4-chloro-N-(oxan-4-ylmethyl)benzamide is O=C(NCC1CCOCC1)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-(oxan-4-ylmethyl)benzamide?
The InChIKey is XMYXKWDWCXZKRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClNO2/c14-12-3-1-11(2-4-12)13(16)15-9-10-5-7-17-8-6-10/h1-4,10H,5-9H2,(H,15,16).
What are the key properties of 4-chloro-N-(oxan-4-ylmethyl)benzamide?
4-chloro-N-(oxan-4-ylmethyl)benzamide has a molecular weight of 253.73 g/mol, XLogP of 2.50, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(oxan-4-ylmethyl)benzamide is sourced from PubChem (CID 110736386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).