N-(3-chlorophenyl)-2-(4-imidazol-1-ylphenoxy)acetamide

C17H14ClN3O2 — CID 4885174

IUPACN-(3-chlorophenyl)-2-(4-imidazol-1-ylphenoxy)acetamide
SMILESO=C(COc1ccc(-n2ccnc2)cc1)Nc1cccc(Cl)c1
InChIInChI=1S/C17H14ClN3O2/c18-13-2-1-3-14(10-13)20-17(22)11-23-16-6-4-15(5-7-16)21-9-8-19-12-21/h1-10,12H,11H2,(H,20,22)
InChIKeyAPPFQFOFMNCGGA-UHFFFAOYSA-N
MW327.77 g/mol
LogP3.54
Rot. Bonds5

About N-(3-chlorophenyl)-2-(4-imidazol-1-ylphenoxy)acetamide

N-(3-chlorophenyl)-2-(4-imidazol-1-ylphenoxy)acetamide (PubChem CID 4885174) has the molecular formula C17H14ClN3O2 and a molecular weight of 327.77 g/mol. Its IUPAC name is N-(3-chlorophenyl)-2-(4-imidazol-1-ylphenoxy)acetamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-2-(4-imidazol-1-ylphenoxy)acetamide
PubChem CID4885174
Molecular FormulaC17H14ClN3O2
Molecular Weight327.77 g/mol
Exact Mass327.08
IUPAC NameN-(3-chlorophenyl)-2-(4-imidazol-1-ylphenoxy)acetamide
SMILESO=C(COc1ccc(-n2ccnc2)cc1)Nc1cccc(Cl)c1
InChIInChI=1S/C17H14ClN3O2/c18-13-2-1-3-14(10-13)20-17(22)11-23-16-6-4-15(5-7-16)21-9-8-19-12-21/h1-10,12H,11H2,(H,20,22)
InChIKeyAPPFQFOFMNCGGA-UHFFFAOYSA-N
XLogP3.54
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.77
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N'-(4-butoxyphenyl)-N-(3-imidazol-1-ylpropyl)oxamide
CID 580554
2-(4-(1H-imidazol-1-yl)phenoxy)-N-([1,1'-biphenyl]-4-yl)acetamide
CID 4786512
1-[2-(4-Ureidophenoxy)ethyl]imidazole
CID 13569204
1-[[2-[4-(1H-Imidazol-1-yl)phenoxy]ethyl]amino]-3-phenoxy-2-propanol
CID 14739905
2-[4-(2-methylimidazol-1-yl)phenoxy]-N-(4-phenylphenyl)acetamide
CID 86303187
N-[3-(1H-imidazol-1-yl)propyl]-N'-(4-propoxyphenyl)ethanediamide
CID 2959270
N-(4-Ethoxy-phenyl)-N'-(3-imidazol-1-yl-propyl)-oxalamide
CID 3148503
N~1~-[3-(1H-imidazol-1-yl)propyl]-N~2~-[4-(pentyloxy)phenyl]ethanediamide
CID 4457281
N-(4-tert-butylphenyl)-2-[4-(1-imidazolyl)phenoxy]acetamide
CID 4878352
N-(2-(4-fluorophenoxy)phenyl)-2-(1H-imidazol-1-yl)acetamide
CID 46968168
N-[4-(4-chlorophenoxy)phenyl]-2-(2-nitroimidazol-1-yl)acetamide
CID 122188144
(2R)-2-(4-imidazol-1-ylphenoxy)-N-(4-phenylphenyl)propanamide
CID 122234471

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-2-(4-imidazol-1-ylphenoxy)acetamide?
The IUPAC name of N-(3-chlorophenyl)-2-(4-imidazol-1-ylphenoxy)acetamide (CID 4885174) is N-(3-chlorophenyl)-2-(4-imidazol-1-ylphenoxy)acetamide.
What is the SMILES notation for N-(3-chlorophenyl)-2-(4-imidazol-1-ylphenoxy)acetamide?
The canonical SMILES for N-(3-chlorophenyl)-2-(4-imidazol-1-ylphenoxy)acetamide is O=C(COc1ccc(-n2ccnc2)cc1)Nc1cccc(Cl)c1.
What is the InChIKey of N-(3-chlorophenyl)-2-(4-imidazol-1-ylphenoxy)acetamide?
The InChIKey is APPFQFOFMNCGGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN3O2/c18-13-2-1-3-14(10-13)20-17(22)11-23-16-6-4-15(5-7-16)21-9-8-19-12-21/h1-10,12H,11H2,(H,20,22).
What are the key properties of N-(3-chlorophenyl)-2-(4-imidazol-1-ylphenoxy)acetamide?
N-(3-chlorophenyl)-2-(4-imidazol-1-ylphenoxy)acetamide has a molecular weight of 327.77 g/mol, XLogP of 3.54, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-2-(4-imidazol-1-ylphenoxy)acetamide is sourced from PubChem (CID 4885174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).