N-(4-bromo-2-pyridinyl)-2-(2,5-difluorophenyl)acetamide

C13H9BrF2N2O — CID 115274263

IUPACN-(4-bromo-2-pyridinyl)-2-(2,5-difluorophenyl)acetamide
SMILESO=C(Cc1cc(F)ccc1F)Nc1cc(Br)ccn1
InChIInChI=1S/C13H9BrF2N2O/c14-9-3-4-17-12(7-9)18-13(19)6-8-5-10(15)1-2-11(8)16/h1-5,7H,6H2,(H,17,18,19)
InChIKeyOGSNLWQZMNFIBW-UHFFFAOYSA-N
MW327.13 g/mol
LogP3.30
Rot. Bonds3

About N-(4-bromo-2-pyridinyl)-2-(2,5-difluorophenyl)acetamide

N-(4-bromo-2-pyridinyl)-2-(2,5-difluorophenyl)acetamide (PubChem CID 115274263) has the molecular formula C13H9BrF2N2O and a molecular weight of 327.13 g/mol. Its IUPAC name is N-(4-bromo-2-pyridinyl)-2-(2,5-difluorophenyl)acetamide.

Molecular Properties

Compound NameN-(4-bromo-2-pyridinyl)-2-(2,5-difluorophenyl)acetamide
PubChem CID115274263
Molecular FormulaC13H9BrF2N2O
Molecular Weight327.13 g/mol
Exact Mass325.99
IUPAC NameN-(4-bromo-2-pyridinyl)-2-(2,5-difluorophenyl)acetamide
SMILESO=C(Cc1cc(F)ccc1F)Nc1cc(Br)ccn1
InChIInChI=1S/C13H9BrF2N2O/c14-9-3-4-17-12(7-9)18-13(19)6-8-5-10(15)1-2-11(8)16/h1-5,7H,6H2,(H,17,18,19)
InChIKeyOGSNLWQZMNFIBW-UHFFFAOYSA-N
XLogP3.30
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.13
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,5-difluorophenyl)-N-[2-(dimethylamino)pyrimidin-4-yl]acetamide
CID 71869180
N-(5-amino-2-pyridinyl)-2-(2,5-difluorophenyl)acetamide
CID 115273710
N-(4-bromo-2-pyridinyl)-3-fluorobenzamide
CID 3011458
2-(5-bromo-2-fluorophenyl)-N-[6-(methylamino)-3-pyridinyl]acetamide
CID 115274693
methyl 4-[[2-(2,5-difluorophenyl)acetyl]amino]pyridine-2-carboxylate
CID 139348053
1-(4-bromo-2-pyridinyl)-3-(2,3,4-trifluorophenyl)urea
CID 108892659
4-bromo-N-(4-bromo-2-pyridinyl)butanamide;ethane
CID 177218315
2-(3-bromophenyl)-N-(4-chloro-2-pyridinyl)acetamide
CID 115627297
N-(4-bromo-2-pyridinyl)-2-cyclobutylacetamide
CID 102674085
2-(1,2-benzoxazol-3-yl)-N-(4-bromo-2-pyridinyl)acetamide
CID 102820520
ethyl N-(4-bromo-2-pyridinyl)carbamate
CID 102820649
N'-(4-bromo-2-pyridinyl)-2,2,2-trifluoroacetohydrazide
CID 171338494

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-pyridinyl)-2-(2,5-difluorophenyl)acetamide?
The IUPAC name of N-(4-bromo-2-pyridinyl)-2-(2,5-difluorophenyl)acetamide (CID 115274263) is N-(4-bromo-2-pyridinyl)-2-(2,5-difluorophenyl)acetamide.
What is the SMILES notation for N-(4-bromo-2-pyridinyl)-2-(2,5-difluorophenyl)acetamide?
The canonical SMILES for N-(4-bromo-2-pyridinyl)-2-(2,5-difluorophenyl)acetamide is O=C(Cc1cc(F)ccc1F)Nc1cc(Br)ccn1.
What is the InChIKey of N-(4-bromo-2-pyridinyl)-2-(2,5-difluorophenyl)acetamide?
The InChIKey is OGSNLWQZMNFIBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrF2N2O/c14-9-3-4-17-12(7-9)18-13(19)6-8-5-10(15)1-2-11(8)16/h1-5,7H,6H2,(H,17,18,19).
What are the key properties of N-(4-bromo-2-pyridinyl)-2-(2,5-difluorophenyl)acetamide?
N-(4-bromo-2-pyridinyl)-2-(2,5-difluorophenyl)acetamide has a molecular weight of 327.13 g/mol, XLogP of 3.30, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-pyridinyl)-2-(2,5-difluorophenyl)acetamide is sourced from PubChem (CID 115274263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).