N-[4-(4-chlorophenoxy)phenyl]-2-(2-nitroimidazol-1-yl)acetamide

C17H13ClN4O4 — CID 122188144

IUPACN-[4-(4-chlorophenoxy)phenyl]-2-(2-nitroimidazol-1-yl)acetamide
SMILESO=C(Cn1ccnc1[N+](=O)[O-])Nc1ccc(Oc2ccc(Cl)cc2)cc1
InChIInChI=1S/C17H13ClN4O4/c18-12-1-5-14(6-2-12)26-15-7-3-13(4-8-15)20-16(23)11-21-10-9-19-17(21)22(24)25/h1-10H,11H2,(H,20,23)
InChIKeyLLEMLWPKQLKPMB-UHFFFAOYSA-N
MW372.77 g/mol
LogP3.88
Rot. Bonds6

About N-[4-(4-chlorophenoxy)phenyl]-2-(2-nitroimidazol-1-yl)acetamide

N-[4-(4-chlorophenoxy)phenyl]-2-(2-nitroimidazol-1-yl)acetamide (PubChem CID 122188144) has the molecular formula C17H13ClN4O4 and a molecular weight of 372.77 g/mol. Its IUPAC name is N-[4-(4-chlorophenoxy)phenyl]-2-(2-nitroimidazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[4-(4-chlorophenoxy)phenyl]-2-(2-nitroimidazol-1-yl)acetamide
PubChem CID122188144
Molecular FormulaC17H13ClN4O4
Molecular Weight372.77 g/mol
Exact Mass372.06
IUPAC NameN-[4-(4-chlorophenoxy)phenyl]-2-(2-nitroimidazol-1-yl)acetamide
SMILESO=C(Cn1ccnc1[N+](=O)[O-])Nc1ccc(Oc2ccc(Cl)cc2)cc1
InChIInChI=1S/C17H13ClN4O4/c18-12-1-5-14(6-2-12)26-15-7-3-13(4-8-15)20-16(23)11-21-10-9-19-17(21)22(24)25/h1-10H,11H2,(H,20,23)
InChIKeyLLEMLWPKQLKPMB-UHFFFAOYSA-N
XLogP3.88
TPSA99.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.77
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(3-chlorophenyl)-2-(4-imidazol-1-ylphenoxy)acetamide
CID 4885174
N'-(4-butoxyphenyl)-N-(3-imidazol-1-ylpropyl)oxamide
CID 580554
N-(3-Chloro-4-methoxy-phenyl)-2-(2-methyl-5-nitro-imidazol-1-yl)-acetamide
CID 707268
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
4-(4-Imidazol-1-yl-phenoxy)-piperidine-1-carboxylic acid hydroxycarbamoylmethyl-amide
CID 44404625
(2S)-N-[4-(4-chlorophenoxy)phenyl]-2-[[2-(1H-imidazol-5-yl)acetyl]amino]propanamide
CID 56954146
2-N-[4-(4-chlorophenoxy)phenyl]pyrazine-2,6-diamine
CID 70683161
N-[4-(4-chlorophenoxy)phenyl]-2-(3-nitro-1,2,4-triazol-1-yl)acetamide
CID 122188135
2-(2-nitroimidazol-1-yl)-N-(4-phenoxyphenyl)acetamide
CID 122188143
N-[4-(4-fluorophenoxy)phenyl]-2-(2-nitroimidazol-1-yl)acetamide
CID 122188507

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-chlorophenoxy)phenyl]-2-(2-nitroimidazol-1-yl)acetamide?
The IUPAC name of N-[4-(4-chlorophenoxy)phenyl]-2-(2-nitroimidazol-1-yl)acetamide (CID 122188144) is N-[4-(4-chlorophenoxy)phenyl]-2-(2-nitroimidazol-1-yl)acetamide.
What is the SMILES notation for N-[4-(4-chlorophenoxy)phenyl]-2-(2-nitroimidazol-1-yl)acetamide?
The canonical SMILES for N-[4-(4-chlorophenoxy)phenyl]-2-(2-nitroimidazol-1-yl)acetamide is O=C(Cn1ccnc1[N+](=O)[O-])Nc1ccc(Oc2ccc(Cl)cc2)cc1.
What is the InChIKey of N-[4-(4-chlorophenoxy)phenyl]-2-(2-nitroimidazol-1-yl)acetamide?
The InChIKey is LLEMLWPKQLKPMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClN4O4/c18-12-1-5-14(6-2-12)26-15-7-3-13(4-8-15)20-16(23)11-21-10-9-19-17(21)22(24)25/h1-10H,11H2,(H,20,23).
What are the key properties of N-[4-(4-chlorophenoxy)phenyl]-2-(2-nitroimidazol-1-yl)acetamide?
N-[4-(4-chlorophenoxy)phenyl]-2-(2-nitroimidazol-1-yl)acetamide has a molecular weight of 372.77 g/mol, XLogP of 3.88, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-chlorophenoxy)phenyl]-2-(2-nitroimidazol-1-yl)acetamide is sourced from PubChem (CID 122188144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).