N-[2-[2-fluoro-4-[2-(4-nitroimidazol-1-yl)acetyl]phenyl]ethyl]acetamide

C15H15FN4O4 — CID 46484175

IUPACN-[2-[2-fluoro-4-[2-(4-nitroimidazol-1-yl)acetyl]phenyl]ethyl]acetamide
SMILESCC(=O)NCCc1ccc(C(=O)Cn2cnc([N+](=O)[O-])c2)cc1F
InChIInChI=1S/C15H15FN4O4/c1-10(21)17-5-4-11-2-3-12(6-13(11)16)14(22)7-19-8-15(18-9-19)20(23)24/h2-3,6,8-9H,4-5,7H2,1H3,(H,17,21)
InChIKeyJCCNAQPWAOYUQN-UHFFFAOYSA-N
MW334.31 g/mol
LogP1.49
Rot. Bonds7

About N-[2-[2-fluoro-4-[2-(4-nitroimidazol-1-yl)acetyl]phenyl]ethyl]acetamide

N-[2-[2-fluoro-4-[2-(4-nitroimidazol-1-yl)acetyl]phenyl]ethyl]acetamide (PubChem CID 46484175) has the molecular formula C15H15FN4O4 and a molecular weight of 334.31 g/mol. Its IUPAC name is N-[2-[2-fluoro-4-[2-(4-nitroimidazol-1-yl)acetyl]phenyl]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[2-fluoro-4-[2-(4-nitroimidazol-1-yl)acetyl]phenyl]ethyl]acetamide
PubChem CID46484175
Molecular FormulaC15H15FN4O4
Molecular Weight334.31 g/mol
Exact Mass334.11
IUPAC NameN-[2-[2-fluoro-4-[2-(4-nitroimidazol-1-yl)acetyl]phenyl]ethyl]acetamide
SMILESCC(=O)NCCc1ccc(C(=O)Cn2cnc([N+](=O)[O-])c2)cc1F
InChIInChI=1S/C15H15FN4O4/c1-10(21)17-5-4-11-2-3-12(6-13(11)16)14(22)7-19-8-15(18-9-19)20(23)24/h2-3,6,8-9H,4-5,7H2,1H3,(H,17,21)
InChIKeyJCCNAQPWAOYUQN-UHFFFAOYSA-N
XLogP1.49
TPSA107.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.31
LogP ≤ 51.49
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

4-[2-(4-nitroimidazol-1-yl)acetyl]benzonitrile
CID 62024277
N-(4-acetamidophenyl)-2-(4-nitroimidazol-1-yl)acetamide
CID 862879
N-[2-[4-[2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)acetyl]-2-fluorophenyl]ethyl]acetamide
CID 46483879
N-[2-[2-fluoro-4-[2-[(4S)-3-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]phenyl]ethyl]acetamide
CID 52618242
1-(5-chlorothiophen-2-yl)-2-(4-nitroimidazol-1-yl)ethanone
CID 36991578
N-[2-[5-(2-chloroacetyl)-2-fluorophenyl]ethyl]acetamide
CID 71755478
N-[(3,4-dimethylphenyl)carbamoyl]-2-(4-nitroimidazol-1-yl)acetamide
CID 24650226
N-methyl-4-[(4-nitroimidazol-1-yl)methyl]benzamide
CID 56784450
N-[2-[4-[2-[(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]-2-fluorophenyl]ethyl]acetamide
CID 46484083
2-(4-nitroimidazol-1-yl)-N-(1-phenylbutyl)acetamide
CID 24650166
N-(2,4-dimethoxyphenyl)-2-(4-nitroimidazol-1-yl)acetamide
CID 690914
1-(2,6-difluorophenyl)-2-(4-nitroimidazol-1-yl)ethanol
CID 110897823

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-fluoro-4-[2-(4-nitroimidazol-1-yl)acetyl]phenyl]ethyl]acetamide?
The IUPAC name of N-[2-[2-fluoro-4-[2-(4-nitroimidazol-1-yl)acetyl]phenyl]ethyl]acetamide (CID 46484175) is N-[2-[2-fluoro-4-[2-(4-nitroimidazol-1-yl)acetyl]phenyl]ethyl]acetamide.
What is the SMILES notation for N-[2-[2-fluoro-4-[2-(4-nitroimidazol-1-yl)acetyl]phenyl]ethyl]acetamide?
The canonical SMILES for N-[2-[2-fluoro-4-[2-(4-nitroimidazol-1-yl)acetyl]phenyl]ethyl]acetamide is CC(=O)NCCc1ccc(C(=O)Cn2cnc([N+](=O)[O-])c2)cc1F.
What is the InChIKey of N-[2-[2-fluoro-4-[2-(4-nitroimidazol-1-yl)acetyl]phenyl]ethyl]acetamide?
The InChIKey is JCCNAQPWAOYUQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN4O4/c1-10(21)17-5-4-11-2-3-12(6-13(11)16)14(22)7-19-8-15(18-9-19)20(23)24/h2-3,6,8-9H,4-5,7H2,1H3,(H,17,21).
What are the key properties of N-[2-[2-fluoro-4-[2-(4-nitroimidazol-1-yl)acetyl]phenyl]ethyl]acetamide?
N-[2-[2-fluoro-4-[2-(4-nitroimidazol-1-yl)acetyl]phenyl]ethyl]acetamide has a molecular weight of 334.31 g/mol, XLogP of 1.49, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-fluoro-4-[2-(4-nitroimidazol-1-yl)acetyl]phenyl]ethyl]acetamide is sourced from PubChem (CID 46484175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).