N-[(5-bromopyrimidin-2-yl)methyl]-2,2-difluoropropanamide

C8H8BrF2N3O — CID 170266210

IUPACN-[(5-bromopyrimidin-2-yl)methyl]-2,2-difluoropropanamide
SMILESCC(F)(F)C(=O)NCc1ncc(Br)cn1
InChIInChI=1S/C8H8BrF2N3O/c1-8(10,11)7(15)14-4-6-12-2-5(9)3-13-6/h2-3H,4H2,1H3,(H,14,15)
InChIKeySKFXGIHPFIWODW-UHFFFAOYSA-N
MW280.07 g/mol
LogP1.51
Rot. Bonds3

About N-[(5-bromopyrimidin-2-yl)methyl]-2,2-difluoropropanamide

N-[(5-bromopyrimidin-2-yl)methyl]-2,2-difluoropropanamide (PubChem CID 170266210) has the molecular formula C8H8BrF2N3O and a molecular weight of 280.07 g/mol. Its IUPAC name is N-[(5-bromopyrimidin-2-yl)methyl]-2,2-difluoropropanamide.

Molecular Properties

Compound NameN-[(5-bromopyrimidin-2-yl)methyl]-2,2-difluoropropanamide
PubChem CID170266210
Molecular FormulaC8H8BrF2N3O
Molecular Weight280.07 g/mol
Exact Mass278.98
IUPAC NameN-[(5-bromopyrimidin-2-yl)methyl]-2,2-difluoropropanamide
SMILESCC(F)(F)C(=O)NCc1ncc(Br)cn1
InChIInChI=1S/C8H8BrF2N3O/c1-8(10,11)7(15)14-4-6-12-2-5(9)3-13-6/h2-3H,4H2,1H3,(H,14,15)
InChIKeySKFXGIHPFIWODW-UHFFFAOYSA-N
XLogP1.51
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.07
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[(5-bromopyrimidin-2-yl)methyl]carbamate
CID 57345809
5-bromo-N,N-dimethylpyrimidine-2-carboxamide
CID 59559990
2-[(5-bromopyrimidin-2-yl)amino]-N-tert-butylacetamide
CID 75370271
N-(1-(5-Fluoropyrimidin-2-yl)vinyl)acetamide
CID 45119272
(S)-N-(1-(5-Fluoropyrimidin-2-yl)ethyl)acetamide
CID 58367416
5-[(5-Bromopyrimidin-2-yl)amino]-3-methyl-5-(trifluoromethyl)imidazolidine-2,4-dione
CID 47002013
N-methyl-2-(pyrimidin-2-ylamino)-N-(2,2,2-trifluoroethyl)acetamide
CID 71996239
N-ethyl-2-[(5-fluoropyrimidin-2-yl)amino]-N-methylacetamide
CID 104925826
N-[(5-bromopyrimidin-2-yl)methyl]-3-fluoro-3-methylazetidine-1-carboxamide
CID 138020288
2-Chloro-4-(2-acetylamino-ethylamino)-5-trifluoromethyl-pyrimidine
CID 21081033
N-[1-(5-fluoropyrimidin-2-yl)ethyl]acetamide
CID 66624238
N-[2-(5-fluoropyrimidin-2-yl)ethenyl]acetamide
CID 67017111

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromopyrimidin-2-yl)methyl]-2,2-difluoropropanamide?
The IUPAC name of N-[(5-bromopyrimidin-2-yl)methyl]-2,2-difluoropropanamide (CID 170266210) is N-[(5-bromopyrimidin-2-yl)methyl]-2,2-difluoropropanamide.
What is the SMILES notation for N-[(5-bromopyrimidin-2-yl)methyl]-2,2-difluoropropanamide?
The canonical SMILES for N-[(5-bromopyrimidin-2-yl)methyl]-2,2-difluoropropanamide is CC(F)(F)C(=O)NCc1ncc(Br)cn1.
What is the InChIKey of N-[(5-bromopyrimidin-2-yl)methyl]-2,2-difluoropropanamide?
The InChIKey is SKFXGIHPFIWODW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrF2N3O/c1-8(10,11)7(15)14-4-6-12-2-5(9)3-13-6/h2-3H,4H2,1H3,(H,14,15).
What are the key properties of N-[(5-bromopyrimidin-2-yl)methyl]-2,2-difluoropropanamide?
N-[(5-bromopyrimidin-2-yl)methyl]-2,2-difluoropropanamide has a molecular weight of 280.07 g/mol, XLogP of 1.51, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromopyrimidin-2-yl)methyl]-2,2-difluoropropanamide is sourced from PubChem (CID 170266210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).