4-[(2-chlorophenoxy)methyl]-N-(oxolan-2-ylmethyl)benzamide

C19H20ClNO3 — CID 19578710

IUPAC4-[(2-chlorophenoxy)methyl]-N-(oxolan-2-ylmethyl)benzamide
SMILESO=C(NCC1CCCO1)c1ccc(COc2ccccc2Cl)cc1
InChIInChI=1S/C19H20ClNO3/c20-17-5-1-2-6-18(17)24-13-14-7-9-15(10-8-14)19(22)21-12-16-4-3-11-23-16/h1-2,5-10,16H,3-4,11-13H2,(H,21,22)
InChIKeyBQKHWBURQJZGCA-UHFFFAOYSA-N
MW345.83 g/mol
LogP3.83
Rot. Bonds6

About 4-[(2-chlorophenoxy)methyl]-N-(oxolan-2-ylmethyl)benzamide

4-[(2-chlorophenoxy)methyl]-N-(oxolan-2-ylmethyl)benzamide (PubChem CID 19578710) has the molecular formula C19H20ClNO3 and a molecular weight of 345.83 g/mol. Its IUPAC name is 4-[(2-chlorophenoxy)methyl]-N-(oxolan-2-ylmethyl)benzamide.

Molecular Properties

Compound Name4-[(2-chlorophenoxy)methyl]-N-(oxolan-2-ylmethyl)benzamide
PubChem CID19578710
Molecular FormulaC19H20ClNO3
Molecular Weight345.83 g/mol
Exact Mass345.11
IUPAC Name4-[(2-chlorophenoxy)methyl]-N-(oxolan-2-ylmethyl)benzamide
SMILESO=C(NCC1CCCO1)c1ccc(COc2ccccc2Cl)cc1
InChIInChI=1S/C19H20ClNO3/c20-17-5-1-2-6-18(17)24-13-14-7-9-15(10-8-14)19(22)21-12-16-4-3-11-23-16/h1-2,5-10,16H,3-4,11-13H2,(H,21,22)
InChIKeyBQKHWBURQJZGCA-UHFFFAOYSA-N
XLogP3.83
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.83
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(oxolan-2-ylmethyl)-4-(phenoxymethyl)benzamide
CID 24684666
2-[(4-chlorophenyl)methoxy]-N-(oxolan-2-ylmethyl)benzamide
CID 16547670
4-[(2-chlorophenoxy)methyl]-N-(oxolan-2-ylmethyl)thiophene-2-carboxamide
CID 19503006
4-[(4-chlorophenoxy)methyl]-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 895178
3-(2-chlorophenoxy)-N-(oxolan-2-ylmethyl)propanamide
CID 51077938
3-(2-chlorophenoxy)-N-[[(2S)-oxolan-2-yl]methyl]propanamide
CID 94087930
4-[(4-bromophenoxy)methyl]-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 1226327
2-chloro-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 668841
2-[(2-chlorophenoxy)methyl]-N-(oxolan-2-ylmethyl)pyrazole-3-carboxamide
CID 19506994
4-[(4-tert-butylphenoxy)methyl]-N-(oxolan-2-ylmethyl)benzamide
CID 6914711
[2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl] 2-[(4-chlorophenyl)methoxy]benzoate
CID 7440355
4-(azepan-1-ylmethyl)-N-(oxolan-2-ylmethyl)benzamide
CID 43921278

Frequently Asked Questions

What is the IUPAC name of 4-[(2-chlorophenoxy)methyl]-N-(oxolan-2-ylmethyl)benzamide?
The IUPAC name of 4-[(2-chlorophenoxy)methyl]-N-(oxolan-2-ylmethyl)benzamide (CID 19578710) is 4-[(2-chlorophenoxy)methyl]-N-(oxolan-2-ylmethyl)benzamide.
What is the SMILES notation for 4-[(2-chlorophenoxy)methyl]-N-(oxolan-2-ylmethyl)benzamide?
The canonical SMILES for 4-[(2-chlorophenoxy)methyl]-N-(oxolan-2-ylmethyl)benzamide is O=C(NCC1CCCO1)c1ccc(COc2ccccc2Cl)cc1.
What is the InChIKey of 4-[(2-chlorophenoxy)methyl]-N-(oxolan-2-ylmethyl)benzamide?
The InChIKey is BQKHWBURQJZGCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClNO3/c20-17-5-1-2-6-18(17)24-13-14-7-9-15(10-8-14)19(22)21-12-16-4-3-11-23-16/h1-2,5-10,16H,3-4,11-13H2,(H,21,22).
What are the key properties of 4-[(2-chlorophenoxy)methyl]-N-(oxolan-2-ylmethyl)benzamide?
4-[(2-chlorophenoxy)methyl]-N-(oxolan-2-ylmethyl)benzamide has a molecular weight of 345.83 g/mol, XLogP of 3.83, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-chlorophenoxy)methyl]-N-(oxolan-2-ylmethyl)benzamide is sourced from PubChem (CID 19578710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).