2-amino-N-(3-chloropropyl)-2-fluoroacetamide

C5H10ClFN2O — CID 169105653

IUPAC2-amino-N-(3-chloropropyl)-2-fluoroacetamide
SMILESNC(F)C(=O)NCCCCl
InChIInChI=1S/C5H10ClFN2O/c6-2-1-3-9-5(10)4(7)8/h4H,1-3,8H2,(H,9,10)
InChIKeyUFKXIWINBPZZIT-UHFFFAOYSA-N
MW168.60 g/mol
LogP-0.01
Rot. Bonds4

About 2-amino-N-(3-chloropropyl)-2-fluoroacetamide

2-amino-N-(3-chloropropyl)-2-fluoroacetamide (PubChem CID 169105653) has the molecular formula C5H10ClFN2O and a molecular weight of 168.60 g/mol. Its IUPAC name is 2-amino-N-(3-chloropropyl)-2-fluoroacetamide.

Molecular Properties

Compound Name2-amino-N-(3-chloropropyl)-2-fluoroacetamide
PubChem CID169105653
Molecular FormulaC5H10ClFN2O
Molecular Weight168.60 g/mol
Exact Mass168.05
IUPAC Name2-amino-N-(3-chloropropyl)-2-fluoroacetamide
SMILESNC(F)C(=O)NCCCCl
InChIInChI=1S/C5H10ClFN2O/c6-2-1-3-9-5(10)4(7)8/h4H,1-3,8H2,(H,9,10)
InChIKeyUFKXIWINBPZZIT-UHFFFAOYSA-N
XLogP-0.01
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.60
LogP ≤ 5-0.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(3-chloropropyl)-2-fluoroacetamide?
The IUPAC name of 2-amino-N-(3-chloropropyl)-2-fluoroacetamide (CID 169105653) is 2-amino-N-(3-chloropropyl)-2-fluoroacetamide.
What is the SMILES notation for 2-amino-N-(3-chloropropyl)-2-fluoroacetamide?
The canonical SMILES for 2-amino-N-(3-chloropropyl)-2-fluoroacetamide is NC(F)C(=O)NCCCCl.
What is the InChIKey of 2-amino-N-(3-chloropropyl)-2-fluoroacetamide?
The InChIKey is UFKXIWINBPZZIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10ClFN2O/c6-2-1-3-9-5(10)4(7)8/h4H,1-3,8H2,(H,9,10).
What are the key properties of 2-amino-N-(3-chloropropyl)-2-fluoroacetamide?
2-amino-N-(3-chloropropyl)-2-fluoroacetamide has a molecular weight of 168.60 g/mol, XLogP of -0.01, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(3-chloropropyl)-2-fluoroacetamide is sourced from PubChem (CID 169105653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).