N-(2-bromo-4,6-difluorophenyl)-2-(prop-2-ynylamino)acetamide

C11H9BrF2N2O — CID 112722692

IUPACN-(2-bromo-4,6-difluorophenyl)-2-(prop-2-ynylamino)acetamide
SMILESC#CCNCC(=O)Nc1c(F)cc(F)cc1Br
InChIInChI=1S/C11H9BrF2N2O/c1-2-3-15-6-10(17)16-11-8(12)4-7(13)5-9(11)14/h1,4-5,15H,3,6H2,(H,16,17)
InChIKeyKXXVLNSNXYQWQB-UHFFFAOYSA-N
MW303.11 g/mol
LogP1.89
Rot. Bonds4

About N-(2-bromo-4,6-difluorophenyl)-2-(prop-2-ynylamino)acetamide

N-(2-bromo-4,6-difluorophenyl)-2-(prop-2-ynylamino)acetamide (PubChem CID 112722692) has the molecular formula C11H9BrF2N2O and a molecular weight of 303.11 g/mol. Its IUPAC name is N-(2-bromo-4,6-difluorophenyl)-2-(prop-2-ynylamino)acetamide.

Molecular Properties

Compound NameN-(2-bromo-4,6-difluorophenyl)-2-(prop-2-ynylamino)acetamide
PubChem CID112722692
Molecular FormulaC11H9BrF2N2O
Molecular Weight303.11 g/mol
Exact Mass301.99
IUPAC NameN-(2-bromo-4,6-difluorophenyl)-2-(prop-2-ynylamino)acetamide
SMILESC#CCNCC(=O)Nc1c(F)cc(F)cc1Br
InChIInChI=1S/C11H9BrF2N2O/c1-2-3-15-6-10(17)16-11-8(12)4-7(13)5-9(11)14/h1,4-5,15H,3,6H2,(H,16,17)
InChIKeyKXXVLNSNXYQWQB-UHFFFAOYSA-N
XLogP1.89
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.11
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

2-anilino-N-(2-bromo-4,6-difluorophenyl)acetamide
CID 60703391
N-(2-bromo-4,6-difluorophenyl)-2-(5-methyltetrazol-1-yl)acetamide
CID 86801527
N-(4-fluorophenyl)-2-(prop-2-ynylamino)acetamide
CID 28563124
2-(azetidin-3-yl)-N-(2-bromo-4,6-difluorophenyl)acetamide
CID 64616549
N-(2-bromo-4,6-difluorophenyl)-3-(tert-butylamino)propanamide
CID 54928578
(2-bromo-4,6-difluorophenyl)urea
CID 43347715
N-(2-bromo-4,6-difluorophenyl)-2-[1-(4-chlorophenyl)propylamino]acetamide
CID 112809099
N-(3-fluoro-4-hydroxyphenyl)-2-(prop-2-ynylamino)acetamide
CID 79271448
N-(4-bromo-3-methoxyphenyl)-2-(prop-2-ynylamino)acetamide
CID 82867637
N-(4,6-dimethylpyrimidin-2-yl)-2-(prop-2-ynylamino)acetamide
CID 79287533
2-bromo-N-(2-bromo-4,6-difluorophenyl)butanamide
CID 62854822
2-amino-N-(2-bromo-4,6-difluorophenyl)-2-ethylbutanamide
CID 79809416

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4,6-difluorophenyl)-2-(prop-2-ynylamino)acetamide?
The IUPAC name of N-(2-bromo-4,6-difluorophenyl)-2-(prop-2-ynylamino)acetamide (CID 112722692) is N-(2-bromo-4,6-difluorophenyl)-2-(prop-2-ynylamino)acetamide.
What is the SMILES notation for N-(2-bromo-4,6-difluorophenyl)-2-(prop-2-ynylamino)acetamide?
The canonical SMILES for N-(2-bromo-4,6-difluorophenyl)-2-(prop-2-ynylamino)acetamide is C#CCNCC(=O)Nc1c(F)cc(F)cc1Br.
What is the InChIKey of N-(2-bromo-4,6-difluorophenyl)-2-(prop-2-ynylamino)acetamide?
The InChIKey is KXXVLNSNXYQWQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrF2N2O/c1-2-3-15-6-10(17)16-11-8(12)4-7(13)5-9(11)14/h1,4-5,15H,3,6H2,(H,16,17).
What are the key properties of N-(2-bromo-4,6-difluorophenyl)-2-(prop-2-ynylamino)acetamide?
N-(2-bromo-4,6-difluorophenyl)-2-(prop-2-ynylamino)acetamide has a molecular weight of 303.11 g/mol, XLogP of 1.89, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-4,6-difluorophenyl)-2-(prop-2-ynylamino)acetamide is sourced from PubChem (CID 112722692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).