N'-(3-chloro-4-fluorophenyl)-N-(3-imidazol-1-ylpropyl)oxamide

C14H14ClFN4O2 — CID 7585050

IUPACN'-(3-chloro-4-fluorophenyl)-N-(3-imidazol-1-ylpropyl)oxamide
SMILESO=C(NCCCn1ccnc1)C(=O)Nc1ccc(F)c(Cl)c1
InChIInChI=1S/C14H14ClFN4O2/c15-11-8-10(2-3-12(11)16)19-14(22)13(21)18-4-1-6-20-7-5-17-9-20/h2-3,5,7-9H,1,4,6H2,(H,18,21)(H,19,22)
InChIKeyNQPOVCBUDLMXDS-UHFFFAOYSA-N
MW324.74 g/mol
LogP1.82
Rot. Bonds5

About N'-(3-chloro-4-fluorophenyl)-N-(3-imidazol-1-ylpropyl)oxamide

N'-(3-chloro-4-fluorophenyl)-N-(3-imidazol-1-ylpropyl)oxamide (PubChem CID 7585050) has the molecular formula C14H14ClFN4O2 and a molecular weight of 324.74 g/mol. Its IUPAC name is N'-(3-chloro-4-fluorophenyl)-N-(3-imidazol-1-ylpropyl)oxamide.

Molecular Properties

Compound NameN'-(3-chloro-4-fluorophenyl)-N-(3-imidazol-1-ylpropyl)oxamide
PubChem CID7585050
Molecular FormulaC14H14ClFN4O2
Molecular Weight324.74 g/mol
Exact Mass324.08
IUPAC NameN'-(3-chloro-4-fluorophenyl)-N-(3-imidazol-1-ylpropyl)oxamide
SMILESO=C(NCCCn1ccnc1)C(=O)Nc1ccc(F)c(Cl)c1
InChIInChI=1S/C14H14ClFN4O2/c15-11-8-10(2-3-12(11)16)19-14(22)13(21)18-4-1-6-20-7-5-17-9-20/h2-3,5,7-9H,1,4,6H2,(H,18,21)(H,19,22)
InChIKeyNQPOVCBUDLMXDS-UHFFFAOYSA-N
XLogP1.82
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.74
LogP ≤ 51.82
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'-(3-chloro-4-fluorophenyl)-N-(3-imidazol-1-ylpropyl)oxamide?
The IUPAC name of N'-(3-chloro-4-fluorophenyl)-N-(3-imidazol-1-ylpropyl)oxamide (CID 7585050) is N'-(3-chloro-4-fluorophenyl)-N-(3-imidazol-1-ylpropyl)oxamide.
What is the SMILES notation for N'-(3-chloro-4-fluorophenyl)-N-(3-imidazol-1-ylpropyl)oxamide?
The canonical SMILES for N'-(3-chloro-4-fluorophenyl)-N-(3-imidazol-1-ylpropyl)oxamide is O=C(NCCCn1ccnc1)C(=O)Nc1ccc(F)c(Cl)c1.
What is the InChIKey of N'-(3-chloro-4-fluorophenyl)-N-(3-imidazol-1-ylpropyl)oxamide?
The InChIKey is NQPOVCBUDLMXDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClFN4O2/c15-11-8-10(2-3-12(11)16)19-14(22)13(21)18-4-1-6-20-7-5-17-9-20/h2-3,5,7-9H,1,4,6H2,(H,18,21)(H,19,22).
What are the key properties of N'-(3-chloro-4-fluorophenyl)-N-(3-imidazol-1-ylpropyl)oxamide?
N'-(3-chloro-4-fluorophenyl)-N-(3-imidazol-1-ylpropyl)oxamide has a molecular weight of 324.74 g/mol, XLogP of 1.82, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-chloro-4-fluorophenyl)-N-(3-imidazol-1-ylpropyl)oxamide is sourced from PubChem (CID 7585050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).