2-(4-chlorophenoxy)-N-(2,3-dihydroxypropyl)acetamide

C11H14ClNO4 — CID 66177064

IUPAC2-(4-chlorophenoxy)-N-(2,3-dihydroxypropyl)acetamide
SMILESO=C(COc1ccc(Cl)cc1)NCC(O)CO
InChIInChI=1S/C11H14ClNO4/c12-8-1-3-10(4-2-8)17-7-11(16)13-5-9(15)6-14/h1-4,9,14-15H,5-7H2,(H,13,16)
InChIKeyHDDJWEOFJLCNHT-UHFFFAOYSA-N
MW259.69 g/mol
LogP0.19
Rot. Bonds6

About 2-(4-chlorophenoxy)-N-(2,3-dihydroxypropyl)acetamide

2-(4-chlorophenoxy)-N-(2,3-dihydroxypropyl)acetamide (PubChem CID 66177064) has the molecular formula C11H14ClNO4 and a molecular weight of 259.69 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-(2,3-dihydroxypropyl)acetamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-N-(2,3-dihydroxypropyl)acetamide
PubChem CID66177064
Molecular FormulaC11H14ClNO4
Molecular Weight259.69 g/mol
Exact Mass259.06
IUPAC Name2-(4-chlorophenoxy)-N-(2,3-dihydroxypropyl)acetamide
SMILESO=C(COc1ccc(Cl)cc1)NCC(O)CO
InChIInChI=1S/C11H14ClNO4/c12-8-1-3-10(4-2-8)17-7-11(16)13-5-9(15)6-14/h1-4,9,14-15H,5-7H2,(H,13,16)
InChIKeyHDDJWEOFJLCNHT-UHFFFAOYSA-N
XLogP0.19
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.69
LogP ≤ 50.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-chlorophenoxy)-N-(3,3-difluoro-2-hydroxypropyl)acetamide
CID 113258574
N-(2-aminooxypropyl)-2-(4-chlorophenoxy)acetamide
CID 112501724
N-(2-chloro-3-methoxypropyl)-2-(4-chlorophenoxy)acetamide
CID 113272098
2-(4-chlorophenoxy)-N-[2-(furan-2-yl)-2-hydroxyethyl]acetamide
CID 110889268
N-(2,3-dihydroxypropyl)-2-(2,4,5-trichlorophenoxy)acetamide
CID 66176024
N-(2-bromo-3-methoxypropyl)-2-(4-chlorophenoxy)acetamide
CID 113274546
2-(4-chlorophenoxy)-N-[2-(2-hydroxypropylamino)ethyl]acetamide
CID 104593764
N-(3-amino-2-methyl-3-sulfanylidenepropyl)-2-(4-chlorophenoxy)acetamide
CID 62666128
N-(2,3-dihydroxypropyl)-2-(3-methylphenoxy)acetamide
CID 66177924
2-(3-bromophenoxy)-N-(2,3-dihydroxypropyl)acetamide
CID 66174959
2-(4-chlorophenoxy)-N-[(2R)-2-(ethylamino)propyl]acetamide;hydrochloride
CID 120653266
2-(4-chlorophenoxy)-N-[(2R)-1-hydroxypropan-2-yl]acetamide
CID 39086751

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-N-(2,3-dihydroxypropyl)acetamide?
The IUPAC name of 2-(4-chlorophenoxy)-N-(2,3-dihydroxypropyl)acetamide (CID 66177064) is 2-(4-chlorophenoxy)-N-(2,3-dihydroxypropyl)acetamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-N-(2,3-dihydroxypropyl)acetamide?
The canonical SMILES for 2-(4-chlorophenoxy)-N-(2,3-dihydroxypropyl)acetamide is O=C(COc1ccc(Cl)cc1)NCC(O)CO.
What is the InChIKey of 2-(4-chlorophenoxy)-N-(2,3-dihydroxypropyl)acetamide?
The InChIKey is HDDJWEOFJLCNHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO4/c12-8-1-3-10(4-2-8)17-7-11(16)13-5-9(15)6-14/h1-4,9,14-15H,5-7H2,(H,13,16).
What are the key properties of 2-(4-chlorophenoxy)-N-(2,3-dihydroxypropyl)acetamide?
2-(4-chlorophenoxy)-N-(2,3-dihydroxypropyl)acetamide has a molecular weight of 259.69 g/mol, XLogP of 0.19, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-N-(2,3-dihydroxypropyl)acetamide is sourced from PubChem (CID 66177064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).