N-benzyl-4-(4-chlorophenyl)oxane-4-carboxamide

C19H20ClNO2 — CID 134800950

IUPACN-benzyl-4-(4-chlorophenyl)oxane-4-carboxamide
SMILESO=C(NCc1ccccc1)C1(c2ccc(Cl)cc2)CCOCC1
InChIInChI=1S/C19H20ClNO2/c20-17-8-6-16(7-9-17)19(10-12-23-13-11-19)18(22)21-14-15-4-2-1-3-5-15/h1-9H,10-14H2,(H,21,22)
InChIKeyDRGLDNAKSDXXGR-UHFFFAOYSA-N
MW329.83 g/mol
LogP3.70
Rot. Bonds4

About N-benzyl-4-(4-chlorophenyl)oxane-4-carboxamide

N-benzyl-4-(4-chlorophenyl)oxane-4-carboxamide (PubChem CID 134800950) has the molecular formula C19H20ClNO2 and a molecular weight of 329.83 g/mol. Its IUPAC name is N-benzyl-4-(4-chlorophenyl)oxane-4-carboxamide.

Molecular Properties

Compound NameN-benzyl-4-(4-chlorophenyl)oxane-4-carboxamide
PubChem CID134800950
Molecular FormulaC19H20ClNO2
Molecular Weight329.83 g/mol
Exact Mass329.12
IUPAC NameN-benzyl-4-(4-chlorophenyl)oxane-4-carboxamide
SMILESO=C(NCc1ccccc1)C1(c2ccc(Cl)cc2)CCOCC1
InChIInChI=1S/C19H20ClNO2/c20-17-8-6-16(7-9-17)19(10-12-23-13-11-19)18(22)21-14-15-4-2-1-3-5-15/h1-9H,10-14H2,(H,21,22)
InChIKeyDRGLDNAKSDXXGR-UHFFFAOYSA-N
XLogP3.70
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.83
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-(4-chlorophenyl)oxane-4-carboxamide?
The IUPAC name of N-benzyl-4-(4-chlorophenyl)oxane-4-carboxamide (CID 134800950) is N-benzyl-4-(4-chlorophenyl)oxane-4-carboxamide.
What is the SMILES notation for N-benzyl-4-(4-chlorophenyl)oxane-4-carboxamide?
The canonical SMILES for N-benzyl-4-(4-chlorophenyl)oxane-4-carboxamide is O=C(NCc1ccccc1)C1(c2ccc(Cl)cc2)CCOCC1.
What is the InChIKey of N-benzyl-4-(4-chlorophenyl)oxane-4-carboxamide?
The InChIKey is DRGLDNAKSDXXGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClNO2/c20-17-8-6-16(7-9-17)19(10-12-23-13-11-19)18(22)21-14-15-4-2-1-3-5-15/h1-9H,10-14H2,(H,21,22).
What are the key properties of N-benzyl-4-(4-chlorophenyl)oxane-4-carboxamide?
N-benzyl-4-(4-chlorophenyl)oxane-4-carboxamide has a molecular weight of 329.83 g/mol, XLogP of 3.70, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-(4-chlorophenyl)oxane-4-carboxamide is sourced from PubChem (CID 134800950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).