2-[(4-chlorophenyl)methoxy]-N-(oxolan-2-ylmethyl)benzamide

C19H20ClNO3 — CID 16547670

IUPAC2-[(4-chlorophenyl)methoxy]-N-(oxolan-2-ylmethyl)benzamide
SMILESO=C(NCC1CCCO1)c1ccccc1OCc1ccc(Cl)cc1
InChIInChI=1S/C19H20ClNO3/c20-15-9-7-14(8-10-15)13-24-18-6-2-1-5-17(18)19(22)21-12-16-4-3-11-23-16/h1-2,5-10,16H,3-4,11-13H2,(H,21,22)
InChIKeyHVKAFZPQXWKCKM-UHFFFAOYSA-N
MW345.83 g/mol
LogP3.83
Rot. Bonds6

About 2-[(4-chlorophenyl)methoxy]-N-(oxolan-2-ylmethyl)benzamide

2-[(4-chlorophenyl)methoxy]-N-(oxolan-2-ylmethyl)benzamide (PubChem CID 16547670) has the molecular formula C19H20ClNO3 and a molecular weight of 345.83 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)methoxy]-N-(oxolan-2-ylmethyl)benzamide.

Molecular Properties

Compound Name2-[(4-chlorophenyl)methoxy]-N-(oxolan-2-ylmethyl)benzamide
PubChem CID16547670
Molecular FormulaC19H20ClNO3
Molecular Weight345.83 g/mol
Exact Mass345.11
IUPAC Name2-[(4-chlorophenyl)methoxy]-N-(oxolan-2-ylmethyl)benzamide
SMILESO=C(NCC1CCCO1)c1ccccc1OCc1ccc(Cl)cc1
InChIInChI=1S/C19H20ClNO3/c20-15-9-7-14(8-10-15)13-24-18-6-2-1-5-17(18)19(22)21-12-16-4-3-11-23-16/h1-2,5-10,16H,3-4,11-13H2,(H,21,22)
InChIKeyHVKAFZPQXWKCKM-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

[2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl] 2-[(4-chlorophenyl)methoxy]benzoate
CID 7440355
4-[(2-chlorophenoxy)methyl]-N-(oxolan-2-ylmethyl)benzamide
CID 19578710
2-[2-(4-chloroanilino)-2-oxoethoxy]-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 137406946
4-[(4-chlorophenoxy)methyl]-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 895178
2-chloro-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 668841
N-[[2-[(4-chlorophenyl)methoxy]phenyl]methyl]-1-(oxolan-2-yl)methanamine
CID 2964115
N-(oxolan-2-ylmethyl)-4-(phenoxymethyl)benzamide
CID 24684666
5-chloro-2-ethoxy-N-(oxolan-2-ylmethyl)benzamide
CID 17297293
2-[[2-(2-methylpropoxy)benzoyl]amino]-N-(oxolan-2-ylmethyl)benzamide
CID 4945492
2-[[2-(2-methylpropoxy)benzoyl]amino]-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 9206549
2-[2-(2-fluoroanilino)-2-oxoethoxy]-N-(oxolan-2-ylmethyl)benzamide
CID 51148171
4-[(2-chlorophenoxy)methyl]-N-(oxolan-2-ylmethyl)thiophene-2-carboxamide
CID 19503006

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)methoxy]-N-(oxolan-2-ylmethyl)benzamide?
The IUPAC name of 2-[(4-chlorophenyl)methoxy]-N-(oxolan-2-ylmethyl)benzamide (CID 16547670) is 2-[(4-chlorophenyl)methoxy]-N-(oxolan-2-ylmethyl)benzamide.
What is the SMILES notation for 2-[(4-chlorophenyl)methoxy]-N-(oxolan-2-ylmethyl)benzamide?
The canonical SMILES for 2-[(4-chlorophenyl)methoxy]-N-(oxolan-2-ylmethyl)benzamide is O=C(NCC1CCCO1)c1ccccc1OCc1ccc(Cl)cc1.
What is the InChIKey of 2-[(4-chlorophenyl)methoxy]-N-(oxolan-2-ylmethyl)benzamide?
The InChIKey is HVKAFZPQXWKCKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClNO3/c20-15-9-7-14(8-10-15)13-24-18-6-2-1-5-17(18)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 2-[(4-chlorophenyl)methoxy]-N-(oxolan-2-ylmethyl)benzamide?
2-[(4-chlorophenyl)methoxy]-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 2-[(4-chlorophenyl)methoxy]-N-(oxolan-2-ylmethyl)benzamide is sourced from PubChem (CID 16547670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).