N-[3-(2,3-dichlorophenoxy)-2-hydroxypropyl]-2-imidazol-1-ylacetamide

C14H15Cl2N3O3 — CID 71849299

IUPACN-[3-(2,3-dichlorophenoxy)-2-hydroxypropyl]-2-imidazol-1-ylacetamide
SMILESO=C(Cn1ccnc1)NCC(O)COc1cccc(Cl)c1Cl
InChIInChI=1S/C14H15Cl2N3O3/c15-11-2-1-3-12(14(11)16)22-8-10(20)6-18-13(21)7-19-5-4-17-9-19/h1-5,9-10,20H,6-8H2,(H,18,21)
InChIKeyXUIWYCCURRSRJB-UHFFFAOYSA-N
MW344.20 g/mol
LogP1.75
Rot. Bonds7

About N-[3-(2,3-dichlorophenoxy)-2-hydroxypropyl]-2-imidazol-1-ylacetamide

N-[3-(2,3-dichlorophenoxy)-2-hydroxypropyl]-2-imidazol-1-ylacetamide (PubChem CID 71849299) has the molecular formula C14H15Cl2N3O3 and a molecular weight of 344.20 g/mol. Its IUPAC name is N-[3-(2,3-dichlorophenoxy)-2-hydroxypropyl]-2-imidazol-1-ylacetamide.

Molecular Properties

Compound NameN-[3-(2,3-dichlorophenoxy)-2-hydroxypropyl]-2-imidazol-1-ylacetamide
PubChem CID71849299
Molecular FormulaC14H15Cl2N3O3
Molecular Weight344.20 g/mol
Exact Mass343.05
IUPAC NameN-[3-(2,3-dichlorophenoxy)-2-hydroxypropyl]-2-imidazol-1-ylacetamide
SMILESO=C(Cn1ccnc1)NCC(O)COc1cccc(Cl)c1Cl
InChIInChI=1S/C14H15Cl2N3O3/c15-11-2-1-3-12(14(11)16)22-8-10(20)6-18-13(21)7-19-5-4-17-9-19/h1-5,9-10,20H,6-8H2,(H,18,21)
InChIKeyXUIWYCCURRSRJB-UHFFFAOYSA-N
XLogP1.75
TPSA76.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.20
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-N-[3-(2,3-dichlorophenoxy)-2-hydroxypropyl]propanamide
CID 119305092
N-[3-(2,3-dichlorophenoxy)-2-hydroxypropyl]prop-2-enamide
CID 146107030
1-[(2R)-3-(2,3-dichlorophenoxy)-2-hydroxypropyl]-3-ethylurea
CID 94199882
2-[cyclopropyl(methyl)amino]-N-[3-(2,3-dichlorophenoxy)-2-hydroxypropyl]acetamide
CID 110911251
2-amino-N-[3-(2,3-dichlorophenoxy)-2-hydroxypropyl]pentanamide
CID 119305104
1-cyano-N-[3-(2,3-dichlorophenoxy)-2-hydroxypropyl]cyclobutane-1-carboxamide
CID 111434785
1-(2,3-dichlorophenoxy)-3-(propan-2-ylamino)propan-2-ol
CID 13055703
N-[(2S)-3-(2,3-dichlorophenoxy)-2-hydroxypropyl]-3-methyl-1,2-oxazole-5-carboxamide
CID 94797026
(2R)-N-[(2S)-3-(2,3-dichlorophenoxy)-2-hydroxypropyl]pyrrolidine-2-carboxamide
CID 124591683
1-(2,3-dichlorophenoxy)-3-(pyridin-2-ylmethylamino)propan-2-ol
CID 110906838
N-tert-butyl-2-[[[[3-(2,3-dichlorophenoxy)-2-hydroxypropyl]amino]-(ethylamino)methylidene]amino]acetamide
CID 111385492
(2R)-1-(1-chloronaphthalen-2-yl)oxy-3-imidazol-1-ylpropan-2-ol
CID 714826

Frequently Asked Questions

What is the IUPAC name of N-[3-(2,3-dichlorophenoxy)-2-hydroxypropyl]-2-imidazol-1-ylacetamide?
The IUPAC name of N-[3-(2,3-dichlorophenoxy)-2-hydroxypropyl]-2-imidazol-1-ylacetamide (CID 71849299) is N-[3-(2,3-dichlorophenoxy)-2-hydroxypropyl]-2-imidazol-1-ylacetamide.
What is the SMILES notation for N-[3-(2,3-dichlorophenoxy)-2-hydroxypropyl]-2-imidazol-1-ylacetamide?
The canonical SMILES for N-[3-(2,3-dichlorophenoxy)-2-hydroxypropyl]-2-imidazol-1-ylacetamide is O=C(Cn1ccnc1)NCC(O)COc1cccc(Cl)c1Cl.
What is the InChIKey of N-[3-(2,3-dichlorophenoxy)-2-hydroxypropyl]-2-imidazol-1-ylacetamide?
The InChIKey is XUIWYCCURRSRJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15Cl2N3O3/c15-11-2-1-3-12(14(11)16)22-8-10(20)6-18-13(21)7-19-5-4-17-9-19/h1-5,9-10,20H,6-8H2,(H,18,21).
What are the key properties of N-[3-(2,3-dichlorophenoxy)-2-hydroxypropyl]-2-imidazol-1-ylacetamide?
N-[3-(2,3-dichlorophenoxy)-2-hydroxypropyl]-2-imidazol-1-ylacetamide has a molecular weight of 344.20 g/mol, XLogP of 1.75, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2,3-dichlorophenoxy)-2-hydroxypropyl]-2-imidazol-1-ylacetamide is sourced from PubChem (CID 71849299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).