N-[5-[(5-bromo-2-fluorophenyl)methylamino]-2-fluorophenyl]acetamide

C15H13BrF2N2O — CID 60927782

IUPACN-[5-[(5-bromo-2-fluorophenyl)methylamino]-2-fluorophenyl]acetamide
SMILESCC(=O)Nc1cc(NCc2cc(Br)ccc2F)ccc1F
InChIInChI=1S/C15H13BrF2N2O/c1-9(21)20-15-7-12(3-5-14(15)18)19-8-10-6-11(16)2-4-13(10)17/h2-7,19H,8H2,1H3,(H,20,21)
InChIKeyJPLYZDKNCSSJIM-UHFFFAOYSA-N
MW355.18 g/mol
LogP4.30
Rot. Bonds4

About N-[5-[(5-bromo-2-fluorophenyl)methylamino]-2-fluorophenyl]acetamide

N-[5-[(5-bromo-2-fluorophenyl)methylamino]-2-fluorophenyl]acetamide (PubChem CID 60927782) has the molecular formula C15H13BrF2N2O and a molecular weight of 355.18 g/mol. Its IUPAC name is N-[5-[(5-bromo-2-fluorophenyl)methylamino]-2-fluorophenyl]acetamide.

Molecular Properties

Compound NameN-[5-[(5-bromo-2-fluorophenyl)methylamino]-2-fluorophenyl]acetamide
PubChem CID60927782
Molecular FormulaC15H13BrF2N2O
Molecular Weight355.18 g/mol
Exact Mass354.02
IUPAC NameN-[5-[(5-bromo-2-fluorophenyl)methylamino]-2-fluorophenyl]acetamide
SMILESCC(=O)Nc1cc(NCc2cc(Br)ccc2F)ccc1F
InChIInChI=1S/C15H13BrF2N2O/c1-9(21)20-15-7-12(3-5-14(15)18)19-8-10-6-11(16)2-4-13(10)17/h2-7,19H,8H2,1H3,(H,20,21)
InChIKeyJPLYZDKNCSSJIM-UHFFFAOYSA-N
XLogP4.30
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.18
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-[5-[(5-bromo-2-fluorophenyl)methylamino]-2-fluorophenyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-fluoro-5-[(2,4,5-trifluorophenyl)methylamino]phenyl]acetamide
CID 75469999
N-[3-[(5-bromo-2-chlorophenyl)methylamino]-4-fluorophenyl]acetamide
CID 103696999
N-[5-[(2,4-difluorophenyl)methylamino]-2-fluorophenyl]acetamide
CID 60928628
N-[5-[(4-bromothiophen-2-yl)methylamino]-2-fluorophenyl]acetamide
CID 54862670
N-[5-[(2,3-difluorophenyl)methylamino]-2-fluorophenyl]acetamide
CID 63667393
N-[5-[(2,4-dihydroxyphenyl)methylamino]-2-fluorophenyl]acetamide
CID 60928497
2-(3-acetamido-4-fluoroanilino)-N-(4-bromophenyl)acetamide
CID 31766622
N-[5-[(2-aminophenyl)methylamino]-2-fluorophenyl]acetamide
CID 66417660
N-[3-[(4-bromo-2-chlorophenyl)methylamino]-4-fluorophenyl]acetamide
CID 115868166
2-(3-acetamido-4-fluoroanilino)-N-(4-bromo-2-methylphenyl)acetamide
CID 31768609
4-[(5-bromo-2-fluorophenyl)methylamino]benzoic acid
CID 43321686
N-[2-fluoro-5-(2-methylpropylamino)phenyl]acetamide
CID 60928010

Frequently Asked Questions

What is the IUPAC name of N-[5-[(5-bromo-2-fluorophenyl)methylamino]-2-fluorophenyl]acetamide?
The IUPAC name of N-[5-[(5-bromo-2-fluorophenyl)methylamino]-2-fluorophenyl]acetamide (CID 60927782) is N-[5-[(5-bromo-2-fluorophenyl)methylamino]-2-fluorophenyl]acetamide.
What is the SMILES notation for N-[5-[(5-bromo-2-fluorophenyl)methylamino]-2-fluorophenyl]acetamide?
The canonical SMILES for N-[5-[(5-bromo-2-fluorophenyl)methylamino]-2-fluorophenyl]acetamide is CC(=O)Nc1cc(NCc2cc(Br)ccc2F)ccc1F.
What is the InChIKey of N-[5-[(5-bromo-2-fluorophenyl)methylamino]-2-fluorophenyl]acetamide?
The InChIKey is JPLYZDKNCSSJIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrF2N2O/c1-9(21)20-15-7-12(3-5-14(15)18)19-8-10-6-11(16)2-4-13(10)17/h2-7,19H,8H2,1H3,(H,20,21).
What are the key properties of N-[5-[(5-bromo-2-fluorophenyl)methylamino]-2-fluorophenyl]acetamide?
N-[5-[(5-bromo-2-fluorophenyl)methylamino]-2-fluorophenyl]acetamide has a molecular weight of 355.18 g/mol, XLogP of 4.30, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(5-bromo-2-fluorophenyl)methylamino]-2-fluorophenyl]acetamide is sourced from PubChem (CID 60927782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).