N-[5-[(2,3-difluorophenyl)methylamino]-2-fluorophenyl]acetamide

C15H13F3N2O — CID 63667393

IUPACN-[5-[(2,3-difluorophenyl)methylamino]-2-fluorophenyl]acetamide
SMILESCC(=O)NC1=C(C=CC(=C1)NCC2=C(C(=CC=C2)F)F)F
InChIInChI=1S/C15H13F3N2O/c1-9(21)20-14-7-11(5-6-12(14)16)19-8-10-3-2-4-13(17)15(10)18/h2-7,19H,8H2,1H3,(H,20,21)
InChIKeyGEVRVJIFVAXPJC-UHFFFAOYSA-N
MW294.27 g/mol
LogP2.90
Rot. Bonds4

About N-[5-[(2,3-difluorophenyl)methylamino]-2-fluorophenyl]acetamide

N-[5-[(2,3-difluorophenyl)methylamino]-2-fluorophenyl]acetamide (PubChem CID 63667393) has the molecular formula C15H13F3N2O and a molecular weight of 294.27 g/mol. Its IUPAC name is N-[5-[(2,3-difluorophenyl)methylamino]-2-fluorophenyl]acetamide.

Molecular Properties

Compound NameN-[5-[(2,3-difluorophenyl)methylamino]-2-fluorophenyl]acetamide
PubChem CID63667393
Molecular FormulaC15H13F3N2O
Molecular Weight294.27 g/mol
Exact Mass294.10
IUPAC NameN-[5-[(2,3-difluorophenyl)methylamino]-2-fluorophenyl]acetamide
SMILESCC(=O)NC1=C(C=CC(=C1)NCC2=C(C(=CC=C2)F)F)F
InChIInChI=1S/C15H13F3N2O/c1-9(21)20-14-7-11(5-6-12(14)16)19-8-10-3-2-4-13(17)15(10)18/h2-7,19H,8H2,1H3,(H,20,21)
InChIKeyGEVRVJIFVAXPJC-UHFFFAOYSA-N
XLogP2.90
TPSA41.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity356

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.27
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[5-[(2,3-difluorophenyl)methylamino]-2-fluorophenyl]acetamide?
The IUPAC name of N-[5-[(2,3-difluorophenyl)methylamino]-2-fluorophenyl]acetamide (CID 63667393) is N-[5-[(2,3-difluorophenyl)methylamino]-2-fluorophenyl]acetamide.
What is the SMILES notation for N-[5-[(2,3-difluorophenyl)methylamino]-2-fluorophenyl]acetamide?
The canonical SMILES for N-[5-[(2,3-difluorophenyl)methylamino]-2-fluorophenyl]acetamide is CC(=O)NC1=C(C=CC(=C1)NCC2=C(C(=CC=C2)F)F)F.
What is the InChIKey of N-[5-[(2,3-difluorophenyl)methylamino]-2-fluorophenyl]acetamide?
The InChIKey is GEVRVJIFVAXPJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F3N2O/c1-9(21)20-14-7-11(5-6-12(14)16)19-8-10-3-2-4-13(17)15(10)18/h2-7,19H,8H2,1H3,(H,20,21).
What are the key properties of N-[5-[(2,3-difluorophenyl)methylamino]-2-fluorophenyl]acetamide?
N-[5-[(2,3-difluorophenyl)methylamino]-2-fluorophenyl]acetamide has a molecular weight of 294.27 g/mol, XLogP of 2.90, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(2,3-difluorophenyl)methylamino]-2-fluorophenyl]acetamide is sourced from PubChem (CID 63667393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).