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N-(2-bromo-4,6-difluorophenyl)-2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]acetamide

C18H16BrF3N2O — CID 78827920

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPACN-(2-bromo-4,6-difluorophenyl)-2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]acetamide
SMILESO=C(CN(Cc1ccccc1F)C1CC1)Nc1c(F)cc(F)cc1Br
InChIInChI=1S/C18H16BrF3N2O/c19-14-7-12(20)8-16(22)18(14)23-17(25)10-24(13-5-6-13)9-11-3-1-2-4-15(11)21/h1-4,7-8,13H,5-6,9-10H2,(H,23,25)
InChIKeyZGCZNXUUSBSRTQ-UHFFFAOYSA-N
MW413.24 g/mol
LogP4.47
Rot. Bonds6

About N-(2-bromo-4,6-difluorophenyl)-2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]acetamide

N-(2-bromo-4,6-difluorophenyl)-2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]acetamide (PubChem CID 78827920) has the molecular formula C18H16BrF3N2O and a molecular weight of 413.24 g/mol. Its IUPAC name is N-(2-bromo-4,6-difluorophenyl)-2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]acetamide.

Molecular Properties

Compound NameN-(2-bromo-4,6-difluorophenyl)-2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]acetamide
PubChem CID78827920
Molecular FormulaC18H16BrF3N2O
Molecular Weight413.24 g/mol
Exact Mass412.04
IUPAC NameN-(2-bromo-4,6-difluorophenyl)-2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]acetamide
SMILESO=C(CN(Cc1ccccc1F)C1CC1)Nc1c(F)cc(F)cc1Br
InChIInChI=1S/C18H16BrF3N2O/c19-14-7-12(20)8-16(22)18(14)23-17(25)10-24(13-5-6-13)9-11-3-1-2-4-15(11)21/h1-4,7-8,13H,5-6,9-10H2,(H,23,25)
InChIKeyZGCZNXUUSBSRTQ-UHFFFAOYSA-N
XLogP4.47
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.24
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4,6-difluorophenyl)-2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]acetamide?
The IUPAC name of N-(2-bromo-4,6-difluorophenyl)-2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]acetamide (CID 78827920) is N-(2-bromo-4,6-difluorophenyl)-2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]acetamide.
What is the SMILES notation for N-(2-bromo-4,6-difluorophenyl)-2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]acetamide?
The canonical SMILES for N-(2-bromo-4,6-difluorophenyl)-2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]acetamide is O=C(CN(Cc1ccccc1F)C1CC1)Nc1c(F)cc(F)cc1Br.
What is the InChIKey of N-(2-bromo-4,6-difluorophenyl)-2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]acetamide?
The InChIKey is ZGCZNXUUSBSRTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16BrF3N2O/c19-14-7-12(20)8-16(22)18(14)23-17(25)10-24(13-5-6-13)9-11-3-1-2-4-15(11)21/h1-4,7-8,13H,5-6,9-10H2,(H,23,25).
What are the key properties of N-(2-bromo-4,6-difluorophenyl)-2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]acetamide?
N-(2-bromo-4,6-difluorophenyl)-2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]acetamide has a molecular weight of 413.24 g/mol, XLogP of 4.47, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-4,6-difluorophenyl)-2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]acetamide is sourced from PubChem (CID 78827920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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