3-chloro-N-[4-(oxolan-2-ylmethylamino)phenyl]benzamide

C18H19ClN2O2 — CID 112981202

IUPAC3-chloro-N-[4-(oxolan-2-ylmethylamino)phenyl]benzamide
SMILESO=C(Nc1ccc(NCC2CCCO2)cc1)c1cccc(Cl)c1
InChIInChI=1S/C18H19ClN2O2/c19-14-4-1-3-13(11-14)18(22)21-16-8-6-15(7-9-16)20-12-17-5-2-10-23-17/h1,3-4,6-9,11,17,20H,2,5,10,12H2,(H,21,22)
InChIKeyKHFNRKBZQZHILN-UHFFFAOYSA-N
MW330.82 g/mol
LogP4.18
Rot. Bonds5

About 3-chloro-N-[4-(oxolan-2-ylmethylamino)phenyl]benzamide

3-chloro-N-[4-(oxolan-2-ylmethylamino)phenyl]benzamide (PubChem CID 112981202) has the molecular formula C18H19ClN2O2 and a molecular weight of 330.82 g/mol. Its IUPAC name is 3-chloro-N-[4-(oxolan-2-ylmethylamino)phenyl]benzamide.

Molecular Properties

Compound Name3-chloro-N-[4-(oxolan-2-ylmethylamino)phenyl]benzamide
PubChem CID112981202
Molecular FormulaC18H19ClN2O2
Molecular Weight330.82 g/mol
Exact Mass330.11
IUPAC Name3-chloro-N-[4-(oxolan-2-ylmethylamino)phenyl]benzamide
SMILESO=C(Nc1ccc(NCC2CCCO2)cc1)c1cccc(Cl)c1
InChIInChI=1S/C18H19ClN2O2/c19-14-4-1-3-13(11-14)18(22)21-16-8-6-15(7-9-16)20-12-17-5-2-10-23-17/h1,3-4,6-9,11,17,20H,2,5,10,12H2,(H,21,22)
InChIKeyKHFNRKBZQZHILN-UHFFFAOYSA-N
XLogP4.18
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.82
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-N-[4-(oxolan-2-ylmethylamino)phenyl]benzamide
CID 112981171
3-N-(4-acetamidophenyl)-1-N-(oxolan-2-ylmethyl)benzene-1,3-dicarboxamide
CID 109053089
N-(3-chlorophenyl)-3-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 109063911
4-N-(3-chlorophenyl)-2-N-(oxolan-2-ylmethyl)pyridine-2,4-dicarboxamide
CID 109083336
4-[(3-chlorophenyl)carbamoylamino]-N-(oxolan-2-ylmethyl)benzamide
CID 17205676
3-chloro-N-[[4-(oxolan-2-ylmethylsulfamoyl)phenyl]carbamothioyl]benzamide
CID 17161309
N-(4-chlorophenyl)-2-(oxolan-2-ylmethylamino)pyrimidine-5-carboxamide
CID 109252599
5-(oxolan-2-ylmethylamino)-N-phenylpyridine-2-carboxamide
CID 109185172
6-N-(3-chlorophenyl)-2-N-(oxolan-2-ylmethyl)pyridine-2,6-dicarboxamide
CID 109096215
3-methyl-N-[4-(oxolan-2-ylmethylcarbamoyl)phenyl]benzamide
CID 17205629
3,4,5-trimethoxy-N-[4-(oxolan-2-ylmethylamino)phenyl]benzamide
CID 112981189
3-fluoro-N-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]benzamide
CID 75800008

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[4-(oxolan-2-ylmethylamino)phenyl]benzamide?
The IUPAC name of 3-chloro-N-[4-(oxolan-2-ylmethylamino)phenyl]benzamide (CID 112981202) is 3-chloro-N-[4-(oxolan-2-ylmethylamino)phenyl]benzamide.
What is the SMILES notation for 3-chloro-N-[4-(oxolan-2-ylmethylamino)phenyl]benzamide?
The canonical SMILES for 3-chloro-N-[4-(oxolan-2-ylmethylamino)phenyl]benzamide is O=C(Nc1ccc(NCC2CCCO2)cc1)c1cccc(Cl)c1.
What is the InChIKey of 3-chloro-N-[4-(oxolan-2-ylmethylamino)phenyl]benzamide?
The InChIKey is KHFNRKBZQZHILN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O2/c19-14-4-1-3-13(11-14)18(22)21-16-8-6-15(7-9-16)20-12-17-5-2-10-23-17/h1,3-4,6-9,11,17,20H,2,5,10,12H2,(H,21,22).
What are the key properties of 3-chloro-N-[4-(oxolan-2-ylmethylamino)phenyl]benzamide?
3-chloro-N-[4-(oxolan-2-ylmethylamino)phenyl]benzamide has a molecular weight of 330.82 g/mol, XLogP of 4.18, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[4-(oxolan-2-ylmethylamino)phenyl]benzamide is sourced from PubChem (CID 112981202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).