2-[5-(5-bromo-2-chloropyrimidin-4-yl)-3-oxo-1H-isoindol-2-yl]acetamide

C14H10BrClN4O2 — CID 137495598

IUPAC2-[5-(5-bromo-2-chloropyrimidin-4-yl)-3-oxo-1H-isoindol-2-yl]acetamide
SMILESNC(=O)CN1Cc2ccc(-c3nc(Cl)ncc3Br)cc2C1=O
InChIInChI=1S/C14H10BrClN4O2/c15-10-4-18-14(16)19-12(10)7-1-2-8-5-20(6-11(17)21)13(22)9(8)3-7/h1-4H,5-6H2,(H2,17,21)
InChIKeyLJLPPQFLKUORSP-UHFFFAOYSA-N
MW381.62 g/mol
LogP2.00
Rot. Bonds3

About 2-[5-(5-bromo-2-chloropyrimidin-4-yl)-3-oxo-1H-isoindol-2-yl]acetamide

2-[5-(5-bromo-2-chloropyrimidin-4-yl)-3-oxo-1H-isoindol-2-yl]acetamide (PubChem CID 137495598) has the molecular formula C14H10BrClN4O2 and a molecular weight of 381.62 g/mol. Its IUPAC name is 2-[5-(5-bromo-2-chloropyrimidin-4-yl)-3-oxo-1H-isoindol-2-yl]acetamide.

Molecular Properties

Compound Name2-[5-(5-bromo-2-chloropyrimidin-4-yl)-3-oxo-1H-isoindol-2-yl]acetamide
PubChem CID137495598
Molecular FormulaC14H10BrClN4O2
Molecular Weight381.62 g/mol
Exact Mass379.97
IUPAC Name2-[5-(5-bromo-2-chloropyrimidin-4-yl)-3-oxo-1H-isoindol-2-yl]acetamide
SMILESNC(=O)CN1Cc2ccc(-c3nc(Cl)ncc3Br)cc2C1=O
InChIInChI=1S/C14H10BrClN4O2/c15-10-4-18-14(16)19-12(10)7-1-2-8-5-20(6-11(17)21)13(22)9(8)3-7/h1-4H,5-6H2,(H2,17,21)
InChIKeyLJLPPQFLKUORSP-UHFFFAOYSA-N
XLogP2.00
TPSA89.18 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.62
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[5-(2,5-dichloropyrimidin-4-yl)-3-oxo-1H-isoindol-2-yl]-3,3-dimethylbutanoic acid
CID 175250353
2-[(5-tert-butyl-1,2-oxazol-3-yl)methyl]-6-(2,5-dichloropyrimidin-4-yl)-3H-isoindol-1-one
CID 129077676
tert-butyl 2-[[5-(2,5-dichloropyrimidin-4-yl)-3-oxo-1H-isoindol-2-yl]methyl]pyrrolidine-1-carboxylate
CID 129053382
2-[5-[5-chloro-2-(oxan-4-ylamino)pyrimidin-4-yl]-3-oxo-1H-isoindol-2-yl]acetic acid
CID 129053272
(2R)-4-[5-(2-chloropyrimidin-4-yl)-3-oxo-1H-isoindol-2-yl]-2,3,3-trimethylbutanoic acid
CID 175250447
2-[[5-(2-chloropyrimidin-4-yl)-3-oxo-1H-isoindol-2-yl]methyl]-1-benzofuran-7-carboxamide
CID 175156096
2-[5-[5-chloro-2-(oxan-4-ylamino)pyrimidin-4-yl]-3-oxo-1H-isoindol-2-yl]-N-ethyl-N-methylacetamide
CID 147169241
2-[5-[5-chloro-2-(methylamino)pyrimidin-4-yl]-3-oxo-1H-isoindol-2-yl]-N-[(1S,2R)-2,3-dihydroxy-1-phenylpropyl]acetamide
CID 129078239
2-(5-methyl-3-oxo-1H-isoindol-2-yl)acetic acid
CID 115023854
2-[5-[2-[(1-acetylazetidin-3-yl)amino]-5-chloropyrimidin-4-yl]-3-oxo-1H-isoindol-2-yl]acetaldehyde
CID 145298259
2-[5-[5-chloro-2-(methylamino)pyrimidin-4-yl]-3-oxo-1H-isoindol-2-yl]-N-[(1S,2S)-2-cyclopropyl-2-hydroxy-1-phenylethyl]acetamide
CID 129078223
6-[5-chloro-2-(oxan-4-ylamino)pyrimidin-4-yl]-2-[2-[(3S)-3-hydroxypiperidin-1-yl]-2-oxoethyl]-3H-isoindol-1-one
CID 129077791

Frequently Asked Questions

What is the IUPAC name of 2-[5-(5-bromo-2-chloropyrimidin-4-yl)-3-oxo-1H-isoindol-2-yl]acetamide?
The IUPAC name of 2-[5-(5-bromo-2-chloropyrimidin-4-yl)-3-oxo-1H-isoindol-2-yl]acetamide (CID 137495598) is 2-[5-(5-bromo-2-chloropyrimidin-4-yl)-3-oxo-1H-isoindol-2-yl]acetamide.
What is the SMILES notation for 2-[5-(5-bromo-2-chloropyrimidin-4-yl)-3-oxo-1H-isoindol-2-yl]acetamide?
The canonical SMILES for 2-[5-(5-bromo-2-chloropyrimidin-4-yl)-3-oxo-1H-isoindol-2-yl]acetamide is NC(=O)CN1Cc2ccc(-c3nc(Cl)ncc3Br)cc2C1=O.
What is the InChIKey of 2-[5-(5-bromo-2-chloropyrimidin-4-yl)-3-oxo-1H-isoindol-2-yl]acetamide?
The InChIKey is LJLPPQFLKUORSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrClN4O2/c15-10-4-18-14(16)19-12(10)7-1-2-8-5-20(6-11(17)21)13(22)9(8)3-7/h1-4H,5-6H2,(H2,17,21).
What are the key properties of 2-[5-(5-bromo-2-chloropyrimidin-4-yl)-3-oxo-1H-isoindol-2-yl]acetamide?
2-[5-(5-bromo-2-chloropyrimidin-4-yl)-3-oxo-1H-isoindol-2-yl]acetamide has a molecular weight of 381.62 g/mol, XLogP of 2.00, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(5-bromo-2-chloropyrimidin-4-yl)-3-oxo-1H-isoindol-2-yl]acetamide is sourced from PubChem (CID 137495598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).