2-chloro-N-[2-[1-(difluoromethyl)imidazol-2-yl]ethyl]-2-fluoroacetamide

C8H9ClF3N3O — CID 166428060

IUPAC2-chloro-N-[2-[1-(difluoromethyl)imidazol-2-yl]ethyl]-2-fluoroacetamide
SMILESO=C(NCCc1nccn1C(F)F)C(F)Cl
InChIInChI=1S/C8H9ClF3N3O/c9-6(10)7(16)14-2-1-5-13-3-4-15(5)8(11)12/h3-4,6,8H,1-2H2,(H,14,16)
InChIKeyNOOROIIUSCECEY-UHFFFAOYSA-N
MW255.63 g/mol
LogP1.47
Rot. Bonds5

About 2-chloro-N-[2-[1-(difluoromethyl)imidazol-2-yl]ethyl]-2-fluoroacetamide

2-chloro-N-[2-[1-(difluoromethyl)imidazol-2-yl]ethyl]-2-fluoroacetamide (PubChem CID 166428060) has the molecular formula C8H9ClF3N3O and a molecular weight of 255.63 g/mol. Its IUPAC name is 2-chloro-N-[2-[1-(difluoromethyl)imidazol-2-yl]ethyl]-2-fluoroacetamide.

Molecular Properties

Compound Name2-chloro-N-[2-[1-(difluoromethyl)imidazol-2-yl]ethyl]-2-fluoroacetamide
PubChem CID166428060
Molecular FormulaC8H9ClF3N3O
Molecular Weight255.63 g/mol
Exact Mass255.04
IUPAC Name2-chloro-N-[2-[1-(difluoromethyl)imidazol-2-yl]ethyl]-2-fluoroacetamide
SMILESO=C(NCCc1nccn1C(F)F)C(F)Cl
InChIInChI=1S/C8H9ClF3N3O/c9-6(10)7(16)14-2-1-5-13-3-4-15(5)8(11)12/h3-4,6,8H,1-2H2,(H,14,16)
InChIKeyNOOROIIUSCECEY-UHFFFAOYSA-N
XLogP1.47
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.63
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[2-[1-(difluoromethyl)imidazol-2-yl]ethyl]-3-[(4-methyl-1,3-thiazol-5-yl)methyl]urea
CID 56826162
3-(4-chlorophenyl)sulfanyl-N-[2-[1-(difluoromethyl)imidazol-2-yl]ethyl]propanamide
CID 51134602
1-[2-[1-(difluoromethyl)imidazol-2-yl]ethyl]-3-(3-methylbutyl)-2-propylguanidine
CID 71869258
2-[4-[2-[1-(difluoromethyl)imidazol-2-yl]ethylcarbamoylamino]pyrazol-1-yl]-N,N-dimethylacetamide
CID 146127427
1-[2-[1-(difluoromethyl)imidazol-2-yl]ethyl]-3-[1-(4-methyl-1,3-thiazol-2-yl)propyl]urea
CID 56826814
1-(difluoromethyl)-2-(3-methylbutyl)imidazole
CID 170928418
1-[2-[1-(difluoromethyl)imidazol-2-yl]ethyl]-3-(3-methylbutyl)-2-propylguanidine;hydroiodide
CID 71869257
cis-(1S,2R)-N-[2-[1-(difluoromethyl)imidazol-2-yl]ethyl]-2-(2,4-difluorophenyl)cyclopropane-1-carboxamide
CID 97213304
(2R)-2-[[1-(difluoromethyl)imidazol-2-yl]methyl-methylamino]-N-(2-methylpropyl)propanamide
CID 95902904
3-[[1-(difluoromethyl)imidazol-2-yl]methylamino]-N-propan-2-ylpropanamide
CID 115641552
4-[[1-(difluoromethyl)imidazol-2-yl]methylamino]butanoic acid
CID 43473335
1-[2-(4-chlorophenyl)ethyl]-3-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-methylguanidine;hydroiodide
CID 111197037

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-[1-(difluoromethyl)imidazol-2-yl]ethyl]-2-fluoroacetamide?
The IUPAC name of 2-chloro-N-[2-[1-(difluoromethyl)imidazol-2-yl]ethyl]-2-fluoroacetamide (CID 166428060) is 2-chloro-N-[2-[1-(difluoromethyl)imidazol-2-yl]ethyl]-2-fluoroacetamide.
What is the SMILES notation for 2-chloro-N-[2-[1-(difluoromethyl)imidazol-2-yl]ethyl]-2-fluoroacetamide?
The canonical SMILES for 2-chloro-N-[2-[1-(difluoromethyl)imidazol-2-yl]ethyl]-2-fluoroacetamide is O=C(NCCc1nccn1C(F)F)C(F)Cl.
What is the InChIKey of 2-chloro-N-[2-[1-(difluoromethyl)imidazol-2-yl]ethyl]-2-fluoroacetamide?
The InChIKey is NOOROIIUSCECEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClF3N3O/c9-6(10)7(16)14-2-1-5-13-3-4-15(5)8(11)12/h3-4,6,8H,1-2H2,(H,14,16).
What are the key properties of 2-chloro-N-[2-[1-(difluoromethyl)imidazol-2-yl]ethyl]-2-fluoroacetamide?
2-chloro-N-[2-[1-(difluoromethyl)imidazol-2-yl]ethyl]-2-fluoroacetamide has a molecular weight of 255.63 g/mol, XLogP of 1.47, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-[1-(difluoromethyl)imidazol-2-yl]ethyl]-2-fluoroacetamide is sourced from PubChem (CID 166428060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).