N-(3-carbamoyl-4-fluorophenyl)imidazole-1-carboxamide

C11H9FN4O2 — CID 81257159

IUPACN-(3-carbamoyl-4-fluorophenyl)imidazole-1-carboxamide
SMILESNC(=O)c1cc(NC(=O)n2ccnc2)ccc1F
InChIInChI=1S/C11H9FN4O2/c12-9-2-1-7(5-8(9)10(13)17)15-11(18)16-4-3-14-6-16/h1-6H,(H2,13,17)(H,15,18)
InChIKeyCCXGBIQVPMCBQU-UHFFFAOYSA-N
MW248.22 g/mol
LogP1.20
Rot. Bonds2

About N-(3-carbamoyl-4-fluorophenyl)imidazole-1-carboxamide

N-(3-carbamoyl-4-fluorophenyl)imidazole-1-carboxamide (PubChem CID 81257159) has the molecular formula C11H9FN4O2 and a molecular weight of 248.22 g/mol. Its IUPAC name is N-(3-carbamoyl-4-fluorophenyl)imidazole-1-carboxamide.

Molecular Properties

Compound NameN-(3-carbamoyl-4-fluorophenyl)imidazole-1-carboxamide
PubChem CID81257159
Molecular FormulaC11H9FN4O2
Molecular Weight248.22 g/mol
Exact Mass248.07
IUPAC NameN-(3-carbamoyl-4-fluorophenyl)imidazole-1-carboxamide
SMILESNC(=O)c1cc(NC(=O)n2ccnc2)ccc1F
InChIInChI=1S/C11H9FN4O2/c12-9-2-1-7(5-8(9)10(13)17)15-11(18)16-4-3-14-6-16/h1-6H,(H2,13,17)(H,15,18)
InChIKeyCCXGBIQVPMCBQU-UHFFFAOYSA-N
XLogP1.20
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.22
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-carbamoyl-4-fluorophenyl)imidazole-1-carboxamide?
The IUPAC name of N-(3-carbamoyl-4-fluorophenyl)imidazole-1-carboxamide (CID 81257159) is N-(3-carbamoyl-4-fluorophenyl)imidazole-1-carboxamide.
What is the SMILES notation for N-(3-carbamoyl-4-fluorophenyl)imidazole-1-carboxamide?
The canonical SMILES for N-(3-carbamoyl-4-fluorophenyl)imidazole-1-carboxamide is NC(=O)c1cc(NC(=O)n2ccnc2)ccc1F.
What is the InChIKey of N-(3-carbamoyl-4-fluorophenyl)imidazole-1-carboxamide?
The InChIKey is CCXGBIQVPMCBQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9FN4O2/c12-9-2-1-7(5-8(9)10(13)17)15-11(18)16-4-3-14-6-16/h1-6H,(H2,13,17)(H,15,18).
What are the key properties of N-(3-carbamoyl-4-fluorophenyl)imidazole-1-carboxamide?
N-(3-carbamoyl-4-fluorophenyl)imidazole-1-carboxamide has a molecular weight of 248.22 g/mol, XLogP of 1.20, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-carbamoyl-4-fluorophenyl)imidazole-1-carboxamide is sourced from PubChem (CID 81257159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).