N-[(4-chloro-6-methoxypyrimidin-2-yl)carbamoyl]-2,6-difluorobenzamide

C13H9ClF2N4O3 — CID 15956668

IUPACN-[(4-chloro-6-methoxypyrimidin-2-yl)carbamoyl]-2,6-difluorobenzamide
SMILESCOc1cc(Cl)nc(NC(=O)NC(=O)c2c(F)cccc2F)n1
InChIInChI=1S/C13H9ClF2N4O3/c1-23-9-5-8(14)17-12(18-9)20-13(22)19-11(21)10-6(15)3-2-4-7(10)16/h2-5H,1H3,(H2,17,18,19,20,21,22)
InChIKeyUZPXTMBCJYQPES-UHFFFAOYSA-N
MW342.69 g/mol
LogP2.38
Rot. Bonds3

About N-[(4-chloro-6-methoxypyrimidin-2-yl)carbamoyl]-2,6-difluorobenzamide

N-[(4-chloro-6-methoxypyrimidin-2-yl)carbamoyl]-2,6-difluorobenzamide (PubChem CID 15956668) has the molecular formula C13H9ClF2N4O3 and a molecular weight of 342.69 g/mol. Its IUPAC name is N-[(4-chloro-6-methoxypyrimidin-2-yl)carbamoyl]-2,6-difluorobenzamide.

Molecular Properties

Compound NameN-[(4-chloro-6-methoxypyrimidin-2-yl)carbamoyl]-2,6-difluorobenzamide
PubChem CID15956668
Molecular FormulaC13H9ClF2N4O3
Molecular Weight342.69 g/mol
Exact Mass342.03
IUPAC NameN-[(4-chloro-6-methoxypyrimidin-2-yl)carbamoyl]-2,6-difluorobenzamide
SMILESCOc1cc(Cl)nc(NC(=O)NC(=O)c2c(F)cccc2F)n1
InChIInChI=1S/C13H9ClF2N4O3/c1-23-9-5-8(14)17-12(18-9)20-13(22)19-11(21)10-6(15)3-2-4-7(10)16/h2-5H,1H3,(H2,17,18,19,20,21,22)
InChIKeyUZPXTMBCJYQPES-UHFFFAOYSA-N
XLogP2.38
TPSA93.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.69
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(4-chloro-6-methoxypyrimidin-2-yl)carbamoyl]-2,6-difluorobenzamide?
The IUPAC name of N-[(4-chloro-6-methoxypyrimidin-2-yl)carbamoyl]-2,6-difluorobenzamide (CID 15956668) is N-[(4-chloro-6-methoxypyrimidin-2-yl)carbamoyl]-2,6-difluorobenzamide.
What is the SMILES notation for N-[(4-chloro-6-methoxypyrimidin-2-yl)carbamoyl]-2,6-difluorobenzamide?
The canonical SMILES for N-[(4-chloro-6-methoxypyrimidin-2-yl)carbamoyl]-2,6-difluorobenzamide is COc1cc(Cl)nc(NC(=O)NC(=O)c2c(F)cccc2F)n1.
What is the InChIKey of N-[(4-chloro-6-methoxypyrimidin-2-yl)carbamoyl]-2,6-difluorobenzamide?
The InChIKey is UZPXTMBCJYQPES-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClF2N4O3/c1-23-9-5-8(14)17-12(18-9)20-13(22)19-11(21)10-6(15)3-2-4-7(10)16/h2-5H,1H3,(H2,17,18,19,20,21,22).
What are the key properties of N-[(4-chloro-6-methoxypyrimidin-2-yl)carbamoyl]-2,6-difluorobenzamide?
N-[(4-chloro-6-methoxypyrimidin-2-yl)carbamoyl]-2,6-difluorobenzamide has a molecular weight of 342.69 g/mol, XLogP of 2.38, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chloro-6-methoxypyrimidin-2-yl)carbamoyl]-2,6-difluorobenzamide is sourced from PubChem (CID 15956668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).