N-fluoro-N-[[3-(2-fluoro-4-pyridinyl)phenyl]methyl]acetamide

C14H12F2N2O — CID 174673528

IUPACN-fluoro-N-[[3-(2-fluoro-4-pyridinyl)phenyl]methyl]acetamide
SMILESCC(=O)N(F)Cc1cccc(-c2ccnc(F)c2)c1
InChIInChI=1S/C14H12F2N2O/c1-10(19)18(16)9-11-3-2-4-12(7-11)13-5-6-17-14(15)8-13/h2-8H,9H2,1H3
InChIKeyXZQDHNPBELZNBU-UHFFFAOYSA-N
MW262.26 g/mol
LogP3.12
Rot. Bonds3

About N-fluoro-N-[[3-(2-fluoro-4-pyridinyl)phenyl]methyl]acetamide

N-fluoro-N-[[3-(2-fluoro-4-pyridinyl)phenyl]methyl]acetamide (PubChem CID 174673528) has the molecular formula C14H12F2N2O and a molecular weight of 262.26 g/mol. Its IUPAC name is N-fluoro-N-[[3-(2-fluoro-4-pyridinyl)phenyl]methyl]acetamide.

Molecular Properties

Compound NameN-fluoro-N-[[3-(2-fluoro-4-pyridinyl)phenyl]methyl]acetamide
PubChem CID174673528
Molecular FormulaC14H12F2N2O
Molecular Weight262.26 g/mol
Exact Mass262.09
IUPAC NameN-fluoro-N-[[3-(2-fluoro-4-pyridinyl)phenyl]methyl]acetamide
SMILESCC(=O)N(F)Cc1cccc(-c2ccnc(F)c2)c1
InChIInChI=1S/C14H12F2N2O/c1-10(19)18(16)9-11-3-2-4-12(7-11)13-5-6-17-14(15)8-13/h2-8H,9H2,1H3
InChIKeyXZQDHNPBELZNBU-UHFFFAOYSA-N
XLogP3.12
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.26
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'N-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-fluoro-N-[[3-(2-fluoro-4-pyridinyl)phenyl]methyl]acetamide?
The IUPAC name of N-fluoro-N-[[3-(2-fluoro-4-pyridinyl)phenyl]methyl]acetamide (CID 174673528) is N-fluoro-N-[[3-(2-fluoro-4-pyridinyl)phenyl]methyl]acetamide.
What is the SMILES notation for N-fluoro-N-[[3-(2-fluoro-4-pyridinyl)phenyl]methyl]acetamide?
The canonical SMILES for N-fluoro-N-[[3-(2-fluoro-4-pyridinyl)phenyl]methyl]acetamide is CC(=O)N(F)Cc1cccc(-c2ccnc(F)c2)c1.
What is the InChIKey of N-fluoro-N-[[3-(2-fluoro-4-pyridinyl)phenyl]methyl]acetamide?
The InChIKey is XZQDHNPBELZNBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F2N2O/c1-10(19)18(16)9-11-3-2-4-12(7-11)13-5-6-17-14(15)8-13/h2-8H,9H2,1H3.
What are the key properties of N-fluoro-N-[[3-(2-fluoro-4-pyridinyl)phenyl]methyl]acetamide?
N-fluoro-N-[[3-(2-fluoro-4-pyridinyl)phenyl]methyl]acetamide has a molecular weight of 262.26 g/mol, XLogP of 3.12, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-fluoro-N-[[3-(2-fluoro-4-pyridinyl)phenyl]methyl]acetamide is sourced from PubChem (CID 174673528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).