N-(4-chlorophenyl)-4-(oxolan-2-ylmethoxy)benzamide

C18H18ClNO3 — CID 6915584

IUPACN-(4-chlorophenyl)-4-(oxolan-2-ylmethoxy)benzamide
SMILESO=C(Nc1ccc(Cl)cc1)c1ccc(OCC2CCCO2)cc1
InChIInChI=1S/C18H18ClNO3/c19-14-5-7-15(8-6-14)20-18(21)13-3-9-16(10-4-13)23-12-17-2-1-11-22-17/h3-10,17H,1-2,11-12H2,(H,20,21)
InChIKeyWGQXBYDIESUMIT-UHFFFAOYSA-N
MW331.80 g/mol
LogP4.15
Rot. Bonds5

About N-(4-chlorophenyl)-4-(oxolan-2-ylmethoxy)benzamide

N-(4-chlorophenyl)-4-(oxolan-2-ylmethoxy)benzamide (PubChem CID 6915584) has the molecular formula C18H18ClNO3 and a molecular weight of 331.80 g/mol. Its IUPAC name is N-(4-chlorophenyl)-4-(oxolan-2-ylmethoxy)benzamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-4-(oxolan-2-ylmethoxy)benzamide
PubChem CID6915584
Molecular FormulaC18H18ClNO3
Molecular Weight331.80 g/mol
Exact Mass331.10
IUPAC NameN-(4-chlorophenyl)-4-(oxolan-2-ylmethoxy)benzamide
SMILESO=C(Nc1ccc(Cl)cc1)c1ccc(OCC2CCCO2)cc1
InChIInChI=1S/C18H18ClNO3/c19-14-5-7-15(8-6-14)20-18(21)13-3-9-16(10-4-13)23-12-17-2-1-11-22-17/h3-10,17H,1-2,11-12H2,(H,20,21)
InChIKeyWGQXBYDIESUMIT-UHFFFAOYSA-N
XLogP4.15
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.80
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-4-(oxolan-2-ylmethoxy)benzamide?
The IUPAC name of N-(4-chlorophenyl)-4-(oxolan-2-ylmethoxy)benzamide (CID 6915584) is N-(4-chlorophenyl)-4-(oxolan-2-ylmethoxy)benzamide.
What is the SMILES notation for N-(4-chlorophenyl)-4-(oxolan-2-ylmethoxy)benzamide?
The canonical SMILES for N-(4-chlorophenyl)-4-(oxolan-2-ylmethoxy)benzamide is O=C(Nc1ccc(Cl)cc1)c1ccc(OCC2CCCO2)cc1.
What is the InChIKey of N-(4-chlorophenyl)-4-(oxolan-2-ylmethoxy)benzamide?
The InChIKey is WGQXBYDIESUMIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClNO3/c19-14-5-7-15(8-6-14)20-18(21)13-3-9-16(10-4-13)23-12-17-2-1-11-22-17/h3-10,17H,1-2,11-12H2,(H,20,21).
What are the key properties of N-(4-chlorophenyl)-4-(oxolan-2-ylmethoxy)benzamide?
N-(4-chlorophenyl)-4-(oxolan-2-ylmethoxy)benzamide has a molecular weight of 331.80 g/mol, XLogP of 4.15, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-4-(oxolan-2-ylmethoxy)benzamide is sourced from PubChem (CID 6915584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).