2-[(2-chlorophenyl)methoxy]-N-(2-hydroxy-3-phenylpropyl)acetamide

C18H20ClNO3 — CID 111102696

IUPAC2-[(2-chlorophenyl)methoxy]-N-(2-hydroxy-3-phenylpropyl)acetamide
SMILESO=C(COCc1ccccc1Cl)NCC(O)Cc1ccccc1
InChIInChI=1S/C18H20ClNO3/c19-17-9-5-4-8-15(17)12-23-13-18(22)20-11-16(21)10-14-6-2-1-3-7-14/h1-9,16,21H,10-13H2,(H,20,22)
InChIKeyXMNYHKRGYBHSNI-UHFFFAOYSA-N
MW333.82 g/mol
LogP2.58
Rot. Bonds8

About 2-[(2-chlorophenyl)methoxy]-N-(2-hydroxy-3-phenylpropyl)acetamide

2-[(2-chlorophenyl)methoxy]-N-(2-hydroxy-3-phenylpropyl)acetamide (PubChem CID 111102696) has the molecular formula C18H20ClNO3 and a molecular weight of 333.82 g/mol. Its IUPAC name is 2-[(2-chlorophenyl)methoxy]-N-(2-hydroxy-3-phenylpropyl)acetamide.

Molecular Properties

Compound Name2-[(2-chlorophenyl)methoxy]-N-(2-hydroxy-3-phenylpropyl)acetamide
PubChem CID111102696
Molecular FormulaC18H20ClNO3
Molecular Weight333.82 g/mol
Exact Mass333.11
IUPAC Name2-[(2-chlorophenyl)methoxy]-N-(2-hydroxy-3-phenylpropyl)acetamide
SMILESO=C(COCc1ccccc1Cl)NCC(O)Cc1ccccc1
InChIInChI=1S/C18H20ClNO3/c19-17-9-5-4-8-15(17)12-23-13-18(22)20-11-16(21)10-14-6-2-1-3-7-14/h1-9,16,21H,10-13H2,(H,20,22)
InChIKeyXMNYHKRGYBHSNI-UHFFFAOYSA-N
XLogP2.58
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.82
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-chlorophenyl)-N-[(2S)-2-hydroxy-3-phenylpropyl]acetamide
CID 95367827
2-[(2-chlorophenyl)methoxy]-N-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]acetamide
CID 47932543
N-(2,3-dihydroxypropyl)-2-phenylmethoxyacetamide
CID 66177316
2-(2-ethylphenoxy)-N-(2-hydroxy-3-phenylpropyl)acetamide
CID 111102472
2-(2-chloro-6-fluorophenyl)-N-[(2R)-2-hydroxy-3-phenylpropyl]acetamide
CID 98622782
2-[(2-chlorophenyl)methoxy]-N-[[3-(2-methoxyethoxy)phenyl]methyl]acetamide
CID 55801251
1-(2-hydroxy-3-phenylpropyl)-3-phenylmethoxyurea
CID 110937017
N-(3,3-difluoro-2-hydroxypropyl)-2-phenylmethoxyacetamide
CID 103770216
N-[[3-(carbamoylamino)phenyl]methyl]-2-[(2-chlorophenyl)methoxy]acetamide
CID 51090626
methyl (2S)-2-[[2-[(2-chlorophenyl)methoxy]acetyl]amino]propanoate
CID 87040393
1-(3-chloro-2-methoxyphenyl)-3-(2-hydroxy-3-phenylpropyl)urea
CID 111103684
N-[(2S)-2-hydroxy-3-phenylpropyl]acetamide
CID 95367778

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chlorophenyl)methoxy]-N-(2-hydroxy-3-phenylpropyl)acetamide?
The IUPAC name of 2-[(2-chlorophenyl)methoxy]-N-(2-hydroxy-3-phenylpropyl)acetamide (CID 111102696) is 2-[(2-chlorophenyl)methoxy]-N-(2-hydroxy-3-phenylpropyl)acetamide.
What is the SMILES notation for 2-[(2-chlorophenyl)methoxy]-N-(2-hydroxy-3-phenylpropyl)acetamide?
The canonical SMILES for 2-[(2-chlorophenyl)methoxy]-N-(2-hydroxy-3-phenylpropyl)acetamide is O=C(COCc1ccccc1Cl)NCC(O)Cc1ccccc1.
What is the InChIKey of 2-[(2-chlorophenyl)methoxy]-N-(2-hydroxy-3-phenylpropyl)acetamide?
The InChIKey is XMNYHKRGYBHSNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClNO3/c19-17-9-5-4-8-15(17)12-23-13-18(22)20-11-16(21)10-14-6-2-1-3-7-14/h1-9,16,21H,10-13H2,(H,20,22).
What are the key properties of 2-[(2-chlorophenyl)methoxy]-N-(2-hydroxy-3-phenylpropyl)acetamide?
2-[(2-chlorophenyl)methoxy]-N-(2-hydroxy-3-phenylpropyl)acetamide has a molecular weight of 333.82 g/mol, XLogP of 2.58, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chlorophenyl)methoxy]-N-(2-hydroxy-3-phenylpropyl)acetamide is sourced from PubChem (CID 111102696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).