3-(3-chlorophenoxy)-N-(2,3-dihydroxypropyl)propanamide

C12H16ClNO4 — CID 66177946

IUPAC3-(3-chlorophenoxy)-N-(2,3-dihydroxypropyl)propanamide
SMILESO=C(CCOc1cccc(Cl)c1)NCC(O)CO
InChIInChI=1S/C12H16ClNO4/c13-9-2-1-3-11(6-9)18-5-4-12(17)14-7-10(16)8-15/h1-3,6,10,15-16H,4-5,7-8H2,(H,14,17)
InChIKeyNZZSDXSRAZSQRG-UHFFFAOYSA-N
MW273.72 g/mol
LogP0.58
Rot. Bonds7

About 3-(3-chlorophenoxy)-N-(2,3-dihydroxypropyl)propanamide

3-(3-chlorophenoxy)-N-(2,3-dihydroxypropyl)propanamide (PubChem CID 66177946) has the molecular formula C12H16ClNO4 and a molecular weight of 273.72 g/mol. Its IUPAC name is 3-(3-chlorophenoxy)-N-(2,3-dihydroxypropyl)propanamide.

Molecular Properties

Compound Name3-(3-chlorophenoxy)-N-(2,3-dihydroxypropyl)propanamide
PubChem CID66177946
Molecular FormulaC12H16ClNO4
Molecular Weight273.72 g/mol
Exact Mass273.08
IUPAC Name3-(3-chlorophenoxy)-N-(2,3-dihydroxypropyl)propanamide
SMILESO=C(CCOc1cccc(Cl)c1)NCC(O)CO
InChIInChI=1S/C12H16ClNO4/c13-9-2-1-3-11(6-9)18-5-4-12(17)14-7-10(16)8-15/h1-3,6,10,15-16H,4-5,7-8H2,(H,14,17)
InChIKeyNZZSDXSRAZSQRG-UHFFFAOYSA-N
XLogP0.58
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.72
LogP ≤ 50.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-chlorophenoxy)-N-(3-hydroxypropyl)propanamide
CID 43428089
N-(2,3-dihydroxypropyl)-4-phenoxybutanamide
CID 66176649
3-(3-chlorophenoxy)-N-(2-methylsulfonylethyl)propanamide
CID 51091552
N-(2,3-dihydroxypropyl)-3-(4-fluorophenoxy)propanamide
CID 66175386
3-(3-chlorophenoxy)-N-(1H-pyrrol-3-ylmethyl)propanamide
CID 106385880
methyl 3-(3-chlorophenoxy)propanoate
CID 28940074
3-[3-(3-fluorophenoxy)propanoylamino]-2-hydroxypropanoic acid
CID 66167434
2-[3-(3-chlorophenoxy)propanoylamino]-2-cyclopropylacetic acid
CID 62696320
3-(3-chlorophenoxy)propanamide
CID 23512799
CID 131885829
CID 131885829
2-(3-bromophenoxy)-N-(2,3-dihydroxypropyl)acetamide
CID 66174959
N-(2,3-dihydroxypropyl)-2-(3-methylphenoxy)acetamide
CID 66177924

Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenoxy)-N-(2,3-dihydroxypropyl)propanamide?
The IUPAC name of 3-(3-chlorophenoxy)-N-(2,3-dihydroxypropyl)propanamide (CID 66177946) is 3-(3-chlorophenoxy)-N-(2,3-dihydroxypropyl)propanamide.
What is the SMILES notation for 3-(3-chlorophenoxy)-N-(2,3-dihydroxypropyl)propanamide?
The canonical SMILES for 3-(3-chlorophenoxy)-N-(2,3-dihydroxypropyl)propanamide is O=C(CCOc1cccc(Cl)c1)NCC(O)CO.
What is the InChIKey of 3-(3-chlorophenoxy)-N-(2,3-dihydroxypropyl)propanamide?
The InChIKey is NZZSDXSRAZSQRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO4/c13-9-2-1-3-11(6-9)18-5-4-12(17)14-7-10(16)8-15/h1-3,6,10,15-16H,4-5,7-8H2,(H,14,17).
What are the key properties of 3-(3-chlorophenoxy)-N-(2,3-dihydroxypropyl)propanamide?
3-(3-chlorophenoxy)-N-(2,3-dihydroxypropyl)propanamide has a molecular weight of 273.72 g/mol, XLogP of 0.58, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenoxy)-N-(2,3-dihydroxypropyl)propanamide is sourced from PubChem (CID 66177946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).