N-(2,4-difluoro-6-nitrophenyl)imidazole-1-carboxamide

C10H6F2N4O3 — CID 81311489

IUPACN-(2,4-difluoro-6-nitrophenyl)imidazole-1-carboxamide
SMILESO=C(Nc1c(F)cc(F)cc1[N+](=O)[O-])n1ccnc1
InChIInChI=1S/C10H6F2N4O3/c11-6-3-7(12)9(8(4-6)16(18)19)14-10(17)15-2-1-13-5-15/h1-5H,(H,14,17)
InChIKeySCZKYJAFCWSENM-UHFFFAOYSA-N
MW268.18 g/mol
LogP2.15
Rot. Bonds2

About N-(2,4-difluoro-6-nitrophenyl)imidazole-1-carboxamide

N-(2,4-difluoro-6-nitrophenyl)imidazole-1-carboxamide (PubChem CID 81311489) has the molecular formula C10H6F2N4O3 and a molecular weight of 268.18 g/mol. Its IUPAC name is N-(2,4-difluoro-6-nitrophenyl)imidazole-1-carboxamide.

Molecular Properties

Compound NameN-(2,4-difluoro-6-nitrophenyl)imidazole-1-carboxamide
PubChem CID81311489
Molecular FormulaC10H6F2N4O3
Molecular Weight268.18 g/mol
Exact Mass268.04
IUPAC NameN-(2,4-difluoro-6-nitrophenyl)imidazole-1-carboxamide
SMILESO=C(Nc1c(F)cc(F)cc1[N+](=O)[O-])n1ccnc1
InChIInChI=1S/C10H6F2N4O3/c11-6-3-7(12)9(8(4-6)16(18)19)14-10(17)15-2-1-13-5-15/h1-5H,(H,14,17)
InChIKeySCZKYJAFCWSENM-UHFFFAOYSA-N
XLogP2.15
TPSA90.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.18
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-(2,4-difluoro-6-nitrophenyl)-3-fluoropyridine-4-carboxamide
CID 105066591
N-(2,4-difluoro-6-nitrophenyl)-2,2,2-trifluoroacetamide
CID 81313213
2-amino-N-(2,4-difluoro-6-nitrophenyl)acetamide
CID 81310994
N-(4-nitrophenyl)imidazole-1-carboxamide
CID 14907723
N-(6-nitro-2,3-dihydro-1,4-benzodioxin-7-yl)imidazole-1-carboxamide
CID 81251887
2-amino-N-(2,4-difluoro-6-nitrophenyl)-2-methylpropanamide
CID 81309738
2-cyano-N-(2,4-difluoro-6-nitrophenyl)acetamide
CID 83298314
N-(2,4-difluoro-6-nitrophenyl)-2-(propylamino)acetamide
CID 81310098
N-(2,4,6-trichlorophenyl)imidazole-1-carboxamide
CID 81257477
2-hydroxyethyl N-(2,4-difluoro-6-nitrophenyl)carbamate
CID 81312067
2-bromo-N-(2,4-difluoro-6-nitrophenyl)-3-methylbutanamide
CID 81309901
4-amino-N-(2,4-difluoro-6-nitrophenyl)-1,2,5-oxadiazole-3-carboxamide
CID 81310187

Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluoro-6-nitrophenyl)imidazole-1-carboxamide?
The IUPAC name of N-(2,4-difluoro-6-nitrophenyl)imidazole-1-carboxamide (CID 81311489) is N-(2,4-difluoro-6-nitrophenyl)imidazole-1-carboxamide.
What is the SMILES notation for N-(2,4-difluoro-6-nitrophenyl)imidazole-1-carboxamide?
The canonical SMILES for N-(2,4-difluoro-6-nitrophenyl)imidazole-1-carboxamide is O=C(Nc1c(F)cc(F)cc1[N+](=O)[O-])n1ccnc1.
What is the InChIKey of N-(2,4-difluoro-6-nitrophenyl)imidazole-1-carboxamide?
The InChIKey is SCZKYJAFCWSENM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6F2N4O3/c11-6-3-7(12)9(8(4-6)16(18)19)14-10(17)15-2-1-13-5-15/h1-5H,(H,14,17).
What are the key properties of N-(2,4-difluoro-6-nitrophenyl)imidazole-1-carboxamide?
N-(2,4-difluoro-6-nitrophenyl)imidazole-1-carboxamide has a molecular weight of 268.18 g/mol, XLogP of 2.15, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluoro-6-nitrophenyl)imidazole-1-carboxamide is sourced from PubChem (CID 81311489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).