2-chloro-N-[(4,5-difluoro-1H-benzimidazol-2-yl)methyl]-2-fluoroacetamide

C10H7ClF3N3O — CID 167927042

IUPAC2-chloro-N-[(4,5-difluoro-1H-benzimidazol-2-yl)methyl]-2-fluoroacetamide
SMILESO=C(NCc1nc2c(F)c(F)ccc2[nH]1)C(F)Cl
InChIInChI=1S/C10H7ClF3N3O/c11-9(14)10(18)15-3-6-16-5-2-1-4(12)7(13)8(5)17-6/h1-2,9H,3H2,(H,15,18)(H,16,17)
InChIKeyFRVMHIKGXUCWDD-UHFFFAOYSA-N
MW277.63 g/mol
LogP1.99
Rot. Bonds3

About 2-chloro-N-[(4,5-difluoro-1H-benzimidazol-2-yl)methyl]-2-fluoroacetamide

2-chloro-N-[(4,5-difluoro-1H-benzimidazol-2-yl)methyl]-2-fluoroacetamide (PubChem CID 167927042) has the molecular formula C10H7ClF3N3O and a molecular weight of 277.63 g/mol. Its IUPAC name is 2-chloro-N-[(4,5-difluoro-1H-benzimidazol-2-yl)methyl]-2-fluoroacetamide.

Molecular Properties

Compound Name2-chloro-N-[(4,5-difluoro-1H-benzimidazol-2-yl)methyl]-2-fluoroacetamide
PubChem CID167927042
Molecular FormulaC10H7ClF3N3O
Molecular Weight277.63 g/mol
Exact Mass277.02
IUPAC Name2-chloro-N-[(4,5-difluoro-1H-benzimidazol-2-yl)methyl]-2-fluoroacetamide
SMILESO=C(NCc1nc2c(F)c(F)ccc2[nH]1)C(F)Cl
InChIInChI=1S/C10H7ClF3N3O/c11-9(14)10(18)15-3-6-16-5-2-1-4(12)7(13)8(5)17-6/h1-2,9H,3H2,(H,15,18)(H,16,17)
InChIKeyFRVMHIKGXUCWDD-UHFFFAOYSA-N
XLogP1.99
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.63
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(4,5-difluoro-1H-benzimidazol-2-yl)methyl]-2-fluoroacetamide?
The IUPAC name of 2-chloro-N-[(4,5-difluoro-1H-benzimidazol-2-yl)methyl]-2-fluoroacetamide (CID 167927042) is 2-chloro-N-[(4,5-difluoro-1H-benzimidazol-2-yl)methyl]-2-fluoroacetamide.
What is the SMILES notation for 2-chloro-N-[(4,5-difluoro-1H-benzimidazol-2-yl)methyl]-2-fluoroacetamide?
The canonical SMILES for 2-chloro-N-[(4,5-difluoro-1H-benzimidazol-2-yl)methyl]-2-fluoroacetamide is O=C(NCc1nc2c(F)c(F)ccc2[nH]1)C(F)Cl.
What is the InChIKey of 2-chloro-N-[(4,5-difluoro-1H-benzimidazol-2-yl)methyl]-2-fluoroacetamide?
The InChIKey is FRVMHIKGXUCWDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClF3N3O/c11-9(14)10(18)15-3-6-16-5-2-1-4(12)7(13)8(5)17-6/h1-2,9H,3H2,(H,15,18)(H,16,17).
What are the key properties of 2-chloro-N-[(4,5-difluoro-1H-benzimidazol-2-yl)methyl]-2-fluoroacetamide?
2-chloro-N-[(4,5-difluoro-1H-benzimidazol-2-yl)methyl]-2-fluoroacetamide has a molecular weight of 277.63 g/mol, XLogP of 1.99, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(4,5-difluoro-1H-benzimidazol-2-yl)methyl]-2-fluoroacetamide is sourced from PubChem (CID 167927042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).