N-[5-[(2,4-difluorophenyl)methylamino]-2-fluorophenyl]acetamide

C15H13F3N2O — CID 60928628

IUPACN-[5-[(2,4-difluorophenyl)methylamino]-2-fluorophenyl]acetamide
SMILESCC(=O)Nc1cc(NCc2ccc(F)cc2F)ccc1F
InChIInChI=1S/C15H13F3N2O/c1-9(21)20-15-7-12(4-5-13(15)17)19-8-10-2-3-11(16)6-14(10)18/h2-7,19H,8H2,1H3,(H,20,21)
InChIKeyZHTCTEVPBLUHDE-UHFFFAOYSA-N
MW294.28 g/mol
LogP3.67
Rot. Bonds4

About N-[5-[(2,4-difluorophenyl)methylamino]-2-fluorophenyl]acetamide

N-[5-[(2,4-difluorophenyl)methylamino]-2-fluorophenyl]acetamide (PubChem CID 60928628) has the molecular formula C15H13F3N2O and a molecular weight of 294.28 g/mol. Its IUPAC name is N-[5-[(2,4-difluorophenyl)methylamino]-2-fluorophenyl]acetamide.

Molecular Properties

Compound NameN-[5-[(2,4-difluorophenyl)methylamino]-2-fluorophenyl]acetamide
PubChem CID60928628
Molecular FormulaC15H13F3N2O
Molecular Weight294.28 g/mol
Exact Mass294.10
IUPAC NameN-[5-[(2,4-difluorophenyl)methylamino]-2-fluorophenyl]acetamide
SMILESCC(=O)Nc1cc(NCc2ccc(F)cc2F)ccc1F
InChIInChI=1S/C15H13F3N2O/c1-9(21)20-15-7-12(4-5-13(15)17)19-8-10-2-3-11(16)6-14(10)18/h2-7,19H,8H2,1H3,(H,20,21)
InChIKeyZHTCTEVPBLUHDE-UHFFFAOYSA-N
XLogP3.67
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.28
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-[(2,4-difluorophenyl)methylamino]-2-methylphenyl]acetamide
CID 43672810
N-[2-fluoro-5-[(2,4,5-trifluorophenyl)methylamino]phenyl]acetamide
CID 75469999
N-[5-[(2,4-dihydroxyphenyl)methylamino]-2-fluorophenyl]acetamide
CID 60928497
N-[5-[(5-bromo-2-fluorophenyl)methylamino]-2-fluorophenyl]acetamide
CID 60927782
N-[5-[(2,3-difluorophenyl)methylamino]-2-fluorophenyl]acetamide
CID 63667393
N-[5-[(2-aminophenyl)methylamino]-2-fluorophenyl]acetamide
CID 66417660
N-[5-[(2,4-difluorophenyl)sulfonylamino]-2-fluorophenyl]acetamide
CID 134017686
N-[4-[(5-fluoro-2-methylphenyl)methylamino]-2-methylphenyl]acetamide
CID 103943723
N-[4-[(2-bromo-4-fluorophenyl)methylamino]-2-chlorophenyl]acetamide
CID 103817850
N-[2-fluoro-5-(2-methylpropylamino)phenyl]acetamide
CID 60928010
N-[2-[(3,4-difluoroanilino)methyl]phenyl]acetamide
CID 66385222
N-[2-fluoro-5-[(4-methoxyphenyl)methylamino]phenyl]acetamide
CID 60928382

Frequently Asked Questions

What is the IUPAC name of N-[5-[(2,4-difluorophenyl)methylamino]-2-fluorophenyl]acetamide?
The IUPAC name of N-[5-[(2,4-difluorophenyl)methylamino]-2-fluorophenyl]acetamide (CID 60928628) is N-[5-[(2,4-difluorophenyl)methylamino]-2-fluorophenyl]acetamide.
What is the SMILES notation for N-[5-[(2,4-difluorophenyl)methylamino]-2-fluorophenyl]acetamide?
The canonical SMILES for N-[5-[(2,4-difluorophenyl)methylamino]-2-fluorophenyl]acetamide is CC(=O)Nc1cc(NCc2ccc(F)cc2F)ccc1F.
What is the InChIKey of N-[5-[(2,4-difluorophenyl)methylamino]-2-fluorophenyl]acetamide?
The InChIKey is ZHTCTEVPBLUHDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F3N2O/c1-9(21)20-15-7-12(4-5-13(15)17)19-8-10-2-3-11(16)6-14(10)18/h2-7,19H,8H2,1H3,(H,20,21).
What are the key properties of N-[5-[(2,4-difluorophenyl)methylamino]-2-fluorophenyl]acetamide?
N-[5-[(2,4-difluorophenyl)methylamino]-2-fluorophenyl]acetamide has a molecular weight of 294.28 g/mol, XLogP of 3.67, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(2,4-difluorophenyl)methylamino]-2-fluorophenyl]acetamide is sourced from PubChem (CID 60928628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).