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

C18H16BrF3N2O — CID 78827920

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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Related Compounds

2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-N-(2,4-difluorophenyl)acetamide
CID 26651079
2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-N-(2,4,6-trichlorophenyl)acetamide
CID 8977734
2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 8977816
2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-N-(4-methoxyphenyl)acetamide
CID 8977684
N-(2-chloro-4-methylphenyl)-2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]acetamide
CID 8977549
N-cyclooctyl-2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]acetamide
CID 27106314
2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-N-(2,5-dimethoxyphenyl)acetamide
CID 8977636
N-(5-chloro-2-cyanophenyl)-2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]acetamide
CID 8977667
2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-N-(1-phenylethyl)acetamide
CID 18088884
N-(2-chloro-4-nitrophenyl)-2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]acetamide
CID 8977916
2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-N-[(4-methylphenyl)methyl]acetamide
CID 27106162
2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-N-[(2S)-4-phenylbutan-2-yl]acetamide
CID 26010059

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).