2-(4-chlorophenoxy)-N-[3-[[(2S)-oxolan-2-yl]methoxy]phenyl]acetamide

C19H20ClNO4 — CID 41444851

IUPAC2-(4-chlorophenoxy)-N-[3-[[(2S)-oxolan-2-yl]methoxy]phenyl]acetamide
SMILESO=C(COc1ccc(Cl)cc1)Nc1cccc(OC[C@@H]2CCCO2)c1
InChIInChI=1S/C19H20ClNO4/c20-14-6-8-16(9-7-14)25-13-19(22)21-15-3-1-4-17(11-15)24-12-18-5-2-10-23-18/h1,3-4,6-9,11,18H,2,5,10,12-13H2,(H,21,22)/t18-/m0/s1
InChIKeyCBXYLTAECQNUDN-SFHVURJKSA-N
MW361.83 g/mol
LogP3.92
Rot. Bonds7

About 2-(4-chlorophenoxy)-N-[3-[[(2S)-oxolan-2-yl]methoxy]phenyl]acetamide

2-(4-chlorophenoxy)-N-[3-[[(2S)-oxolan-2-yl]methoxy]phenyl]acetamide (PubChem CID 41444851) has the molecular formula C19H20ClNO4 and a molecular weight of 361.83 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-[3-[[(2S)-oxolan-2-yl]methoxy]phenyl]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-N-[3-[[(2S)-oxolan-2-yl]methoxy]phenyl]acetamide
PubChem CID41444851
Molecular FormulaC19H20ClNO4
Molecular Weight361.83 g/mol
Exact Mass361.11
IUPAC Name2-(4-chlorophenoxy)-N-[3-[[(2S)-oxolan-2-yl]methoxy]phenyl]acetamide
SMILESO=C(COc1ccc(Cl)cc1)Nc1cccc(OC[C@@H]2CCCO2)c1
InChIInChI=1S/C19H20ClNO4/c20-14-6-8-16(9-7-14)25-13-19(22)21-15-3-1-4-17(11-15)24-12-18-5-2-10-23-18/h1,3-4,6-9,11,18H,2,5,10,12-13H2,(H,21,22)/t18-/m0/s1
InChIKeyCBXYLTAECQNUDN-SFHVURJKSA-N
XLogP3.92
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.83
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-chlorophenoxy)-N-[4-[[(2R)-oxolan-2-yl]methoxy]phenyl]acetamide
CID 9295205
2-(4-chloro-2-methylphenoxy)-N-[3-[[(2S)-oxolan-2-yl]methoxy]phenyl]acetamide
CID 41444899
N-[3-(oxolan-2-ylmethoxy)phenyl]-2-(4-propanoylphenoxy)acetamide
CID 46449164
2-(4-chloroanilino)-N-[3-(oxolan-2-ylmethoxy)phenyl]acetamide
CID 54810381
2-amino-N-[3-(oxolan-2-ylmethoxy)phenyl]acetamide
CID 119284095
N-(4-chlorophenyl)-2-[3-(oxolan-2-ylmethoxy)anilino]acetamide
CID 54829242
N-[4-(oxolan-2-ylmethoxy)phenyl]-2-phenoxyacetamide
CID 4957890
2-(3-nitrophenoxy)-N-[3-(oxolan-2-ylmethoxy)phenyl]acetamide
CID 46411615
1-(3-chlorophenyl)-3-[3-[[(2R)-oxolan-2-yl]methoxy]phenyl]urea
CID 41445181
1-(3-chlorophenyl)-3-[3-[[(2S)-oxolan-2-yl]methoxy]phenyl]urea
CID 41445173
4-amino-N-[3-(oxolan-2-ylmethoxy)phenyl]butanamide
CID 119284123
2-naphthalen-2-yloxy-N-[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]acetamide
CID 9295169

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-N-[3-[[(2S)-oxolan-2-yl]methoxy]phenyl]acetamide?
The IUPAC name of 2-(4-chlorophenoxy)-N-[3-[[(2S)-oxolan-2-yl]methoxy]phenyl]acetamide (CID 41444851) is 2-(4-chlorophenoxy)-N-[3-[[(2S)-oxolan-2-yl]methoxy]phenyl]acetamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-N-[3-[[(2S)-oxolan-2-yl]methoxy]phenyl]acetamide?
The canonical SMILES for 2-(4-chlorophenoxy)-N-[3-[[(2S)-oxolan-2-yl]methoxy]phenyl]acetamide is O=C(COc1ccc(Cl)cc1)Nc1cccc(OC[C@@H]2CCCO2)c1.
What is the InChIKey of 2-(4-chlorophenoxy)-N-[3-[[(2S)-oxolan-2-yl]methoxy]phenyl]acetamide?
The InChIKey is CBXYLTAECQNUDN-SFHVURJKSA-N. The full InChI is InChI=1S/C19H20ClNO4/c20-14-6-8-16(9-7-14)25-13-19(22)21-15-3-1-4-17(11-15)24-12-18-5-2-10-23-18/h1,3-4,6-9,11,18H,2,5,10,12-13H2,(H,21,22)/t18-/m0/s1.
What are the key properties of 2-(4-chlorophenoxy)-N-[3-[[(2S)-oxolan-2-yl]methoxy]phenyl]acetamide?
2-(4-chlorophenoxy)-N-[3-[[(2S)-oxolan-2-yl]methoxy]phenyl]acetamide has a molecular weight of 361.83 g/mol, XLogP of 3.92, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-N-[3-[[(2S)-oxolan-2-yl]methoxy]phenyl]acetamide is sourced from PubChem (CID 41444851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).