2-(4-chlorophenoxy)-N-[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]acetamide

C17H20ClNO4 — CID 121133095

IUPAC2-(4-chlorophenoxy)-N-[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]acetamide
SMILESCc1cc(C(O)CCNC(=O)COc2ccc(Cl)cc2)c(C)o1
InChIInChI=1S/C17H20ClNO4/c1-11-9-15(12(2)23-11)16(20)7-8-19-17(21)10-22-14-5-3-13(18)4-6-14/h3-6,9,16,20H,7-8,10H2,1-2H3,(H,19,21)
InChIKeyIIGFBALAJARVLK-UHFFFAOYSA-N
MW337.80 g/mol
LogP3.17
Rot. Bonds7

About 2-(4-chlorophenoxy)-N-[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]acetamide

2-(4-chlorophenoxy)-N-[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]acetamide (PubChem CID 121133095) has the molecular formula C17H20ClNO4 and a molecular weight of 337.80 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-N-[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]acetamide
PubChem CID121133095
Molecular FormulaC17H20ClNO4
Molecular Weight337.80 g/mol
Exact Mass337.11
IUPAC Name2-(4-chlorophenoxy)-N-[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]acetamide
SMILESCc1cc(C(O)CCNC(=O)COc2ccc(Cl)cc2)c(C)o1
InChIInChI=1S/C17H20ClNO4/c1-11-9-15(12(2)23-11)16(20)7-8-19-17(21)10-22-14-5-3-13(18)4-6-14/h3-6,9,16,20H,7-8,10H2,1-2H3,(H,19,21)
InChIKeyIIGFBALAJARVLK-UHFFFAOYSA-N
XLogP3.17
TPSA71.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.80
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N'-[(4-chlorophenyl)methyl]-N-[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]oxamide
CID 121133272
N'-(5-chloro-2-methylphenyl)-N-[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]oxamide
CID 121133274
2-chloro-N-[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]benzamide
CID 121133050
N-(3-aminobutyl)-2-(4-chlorophenoxy)acetamide;hydrochloride
CID 119497323
N-[2-(4-chlorophenyl)ethyl]-2-(4-methylphenoxy)acetamide
CID 2632440
N-[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]-2,5-dimethylfuran-3-carboxamide
CID 121133032
N-[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]-2-ethylbutanamide
CID 121133019
N-(3-hydroxy-3-phenylpropyl)-2-(4-methylphenoxy)acetamide
CID 71689998
N-[(3R)-3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]-2-fluorobenzamide
CID 97042845
N-[(3R)-3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]-2-(2,5-dioxopyrrolidin-1-yl)acetamide
CID 97042863
2-(4-chlorophenoxy)-N-[2-(2-hydroxypropylamino)ethyl]acetamide
CID 104593764
N-[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]-2,4,6-trimethylbenzamide
CID 121133057

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-N-[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]acetamide?
The IUPAC name of 2-(4-chlorophenoxy)-N-[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]acetamide (CID 121133095) is 2-(4-chlorophenoxy)-N-[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]acetamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-N-[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]acetamide?
The canonical SMILES for 2-(4-chlorophenoxy)-N-[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]acetamide is Cc1cc(C(O)CCNC(=O)COc2ccc(Cl)cc2)c(C)o1.
What is the InChIKey of 2-(4-chlorophenoxy)-N-[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]acetamide?
The InChIKey is IIGFBALAJARVLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClNO4/c1-11-9-15(12(2)23-11)16(20)7-8-19-17(21)10-22-14-5-3-13(18)4-6-14/h3-6,9,16,20H,7-8,10H2,1-2H3,(H,19,21).
What are the key properties of 2-(4-chlorophenoxy)-N-[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]acetamide?
2-(4-chlorophenoxy)-N-[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]acetamide has a molecular weight of 337.80 g/mol, XLogP of 3.17, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-N-[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]acetamide is sourced from PubChem (CID 121133095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).