N'-[(4-fluorophenyl)methyl]-N-[3-(2-phenylimidazol-1-yl)propyl]oxamide

C21H21FN4O2 — CID 71789045

IUPACN'-[(4-fluorophenyl)methyl]-N-[3-(2-phenylimidazol-1-yl)propyl]oxamide
SMILESO=C(NCCCn1ccnc1-c1ccccc1)C(=O)NCc1ccc(F)cc1
InChIInChI=1S/C21H21FN4O2/c22-18-9-7-16(8-10-18)15-25-21(28)20(27)24-11-4-13-26-14-12-23-19(26)17-5-2-1-3-6-17/h1-3,5-10,12,14H,4,11,13,15H2,(H,24,27)(H,25,28)
InChIKeyQZJAQEZBRAVSRU-UHFFFAOYSA-N
MW380.42 g/mol
LogP2.51
Rot. Bonds7

About N'-[(4-fluorophenyl)methyl]-N-[3-(2-phenylimidazol-1-yl)propyl]oxamide

N'-[(4-fluorophenyl)methyl]-N-[3-(2-phenylimidazol-1-yl)propyl]oxamide (PubChem CID 71789045) has the molecular formula C21H21FN4O2 and a molecular weight of 380.42 g/mol. Its IUPAC name is N'-[(4-fluorophenyl)methyl]-N-[3-(2-phenylimidazol-1-yl)propyl]oxamide.

Molecular Properties

Compound NameN'-[(4-fluorophenyl)methyl]-N-[3-(2-phenylimidazol-1-yl)propyl]oxamide
PubChem CID71789045
Molecular FormulaC21H21FN4O2
Molecular Weight380.42 g/mol
Exact Mass380.16
IUPAC NameN'-[(4-fluorophenyl)methyl]-N-[3-(2-phenylimidazol-1-yl)propyl]oxamide
SMILESO=C(NCCCn1ccnc1-c1ccccc1)C(=O)NCc1ccc(F)cc1
InChIInChI=1S/C21H21FN4O2/c22-18-9-7-16(8-10-18)15-25-21(28)20(27)24-11-4-13-26-14-12-23-19(26)17-5-2-1-3-6-17/h1-3,5-10,12,14H,4,11,13,15H2,(H,24,27)(H,25,28)
InChIKeyQZJAQEZBRAVSRU-UHFFFAOYSA-N
XLogP2.51
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.42
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-[(4-fluorophenyl)methyl]-N-[3-(2-phenylimidazol-1-yl)propyl]oxamide?
The IUPAC name of N'-[(4-fluorophenyl)methyl]-N-[3-(2-phenylimidazol-1-yl)propyl]oxamide (CID 71789045) is N'-[(4-fluorophenyl)methyl]-N-[3-(2-phenylimidazol-1-yl)propyl]oxamide.
What is the SMILES notation for N'-[(4-fluorophenyl)methyl]-N-[3-(2-phenylimidazol-1-yl)propyl]oxamide?
The canonical SMILES for N'-[(4-fluorophenyl)methyl]-N-[3-(2-phenylimidazol-1-yl)propyl]oxamide is O=C(NCCCn1ccnc1-c1ccccc1)C(=O)NCc1ccc(F)cc1.
What is the InChIKey of N'-[(4-fluorophenyl)methyl]-N-[3-(2-phenylimidazol-1-yl)propyl]oxamide?
The InChIKey is QZJAQEZBRAVSRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN4O2/c22-18-9-7-16(8-10-18)15-25-21(28)20(27)24-11-4-13-26-14-12-23-19(26)17-5-2-1-3-6-17/h1-3,5-10,12,14H,4,11,13,15H2,(H,24,27)(H,25,28).
What are the key properties of N'-[(4-fluorophenyl)methyl]-N-[3-(2-phenylimidazol-1-yl)propyl]oxamide?
N'-[(4-fluorophenyl)methyl]-N-[3-(2-phenylimidazol-1-yl)propyl]oxamide has a molecular weight of 380.42 g/mol, XLogP of 2.51, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(4-fluorophenyl)methyl]-N-[3-(2-phenylimidazol-1-yl)propyl]oxamide is sourced from PubChem (CID 71789045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).