N-(4-bromo-2,6-difluorophenyl)-N'-propan-2-ylethanimidamide;ethane

C13H19BrF2N2 — CID 142598031

IUPACN-(4-bromo-2,6-difluorophenyl)-N'-propan-2-ylethanimidamide;ethane
SMILESC/C(=N\C(C)C)Nc1c(F)cc(Br)cc1F.CC
InChIInChI=1S/C11H13BrF2N2.C2H6/c1-6(2)15-7(3)16-11-9(13)4-8(12)5-10(11)14;1-2/h4-6H,1-3H3,(H,15,16);1-2H3
InChIKeyTUYZOZFJVMVVBO-UHFFFAOYSA-N
MW321.21 g/mol
LogP4.99
Rot. Bonds2

About N-(4-bromo-2,6-difluorophenyl)-N'-propan-2-ylethanimidamide;ethane

N-(4-bromo-2,6-difluorophenyl)-N'-propan-2-ylethanimidamide;ethane (PubChem CID 142598031) has the molecular formula C13H19BrF2N2 and a molecular weight of 321.21 g/mol. Its IUPAC name is N-(4-bromo-2,6-difluorophenyl)-N'-propan-2-ylethanimidamide;ethane.

Molecular Properties

Compound NameN-(4-bromo-2,6-difluorophenyl)-N'-propan-2-ylethanimidamide;ethane
PubChem CID142598031
Molecular FormulaC13H19BrF2N2
Molecular Weight321.21 g/mol
Exact Mass320.07
IUPAC NameN-(4-bromo-2,6-difluorophenyl)-N'-propan-2-ylethanimidamide;ethane
SMILESC/C(=N\C(C)C)Nc1c(F)cc(Br)cc1F.CC
InChIInChI=1S/C11H13BrF2N2.C2H6/c1-6(2)15-7(3)16-11-9(13)4-8(12)5-10(11)14;1-2/h4-6H,1-3H3,(H,15,16);1-2H3
InChIKeyTUYZOZFJVMVVBO-UHFFFAOYSA-N
XLogP4.99
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.21
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N-(4-bromo-2,6-difluorophenyl)-2,2,2-trifluoro-N'-propan-2-ylethanimidamide
CID 154967751
potassium;N-(4-bromo-2,6-difluorophenyl)-N'-propan-2-ylethanimidamide;6-bromo-4-fluoro-2-methyl-1-propan-2-ylbenzimidazole;deuterio(fluoro)methane;2-methylpropan-2-olate
CID 161399158
(2S)-2-amino-N-(4-bromo-2,6-difluorophenyl)propanamide
CID 79009037
3-[(4-bromo-2,6-difluorophenyl)carbamoyl-methylamino]-2-methylpropanoic acid
CID 65498833
4-bromo-2,6-difluoro-N-(2-methylpropyl)aniline
CID 65468716
2-amino-N-(4-bromo-2,6-difluorophenyl)-2-(4-methylphenyl)acetamide
CID 106312451
3,5-dibromo-N-(4-bromo-2,6-difluorophenyl)benzamide
CID 107972354
1-N-(4-bromo-2,6-difluorophenyl)-1-N'-propan-2-ylethane-1,1-diamine
CID 138669092
5-amino-N-(4-bromo-2,6-difluorophenyl)hexanamide
CID 82852538
methyl 2-(4-bromo-2,6-difluoroanilino)propanoate
CID 65469192
N-[4-bromo-2-fluoro-6-(trifluoromethyl)phenyl]acetamide
CID 19810893
2-(4-bromo-2,6-difluoroanilino)-N-methylpropanamide
CID 65468033

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2,6-difluorophenyl)-N'-propan-2-ylethanimidamide;ethane?
The IUPAC name of N-(4-bromo-2,6-difluorophenyl)-N'-propan-2-ylethanimidamide;ethane (CID 142598031) is N-(4-bromo-2,6-difluorophenyl)-N'-propan-2-ylethanimidamide;ethane.
What is the SMILES notation for N-(4-bromo-2,6-difluorophenyl)-N'-propan-2-ylethanimidamide;ethane?
The canonical SMILES for N-(4-bromo-2,6-difluorophenyl)-N'-propan-2-ylethanimidamide;ethane is C/C(=N\C(C)C)Nc1c(F)cc(Br)cc1F.CC.
What is the InChIKey of N-(4-bromo-2,6-difluorophenyl)-N'-propan-2-ylethanimidamide;ethane?
The InChIKey is TUYZOZFJVMVVBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrF2N2.C2H6/c1-6(2)15-7(3)16-11-9(13)4-8(12)5-10(11)14;1-2/h4-6H,1-3H3,(H,15,16);1-2H3.
What are the key properties of N-(4-bromo-2,6-difluorophenyl)-N'-propan-2-ylethanimidamide;ethane?
N-(4-bromo-2,6-difluorophenyl)-N'-propan-2-ylethanimidamide;ethane has a molecular weight of 321.21 g/mol, XLogP of 4.99, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2,6-difluorophenyl)-N'-propan-2-ylethanimidamide;ethane is sourced from PubChem (CID 142598031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).