N-(4-chloro-6-methoxypyrimidin-2-yl)-2-fluorobenzamide

C12H9ClFN3O2 — CID 114052810

IUPACN-(4-chloro-6-methoxypyrimidin-2-yl)-2-fluorobenzamide
SMILESCOc1cc(Cl)nc(NC(=O)c2ccccc2F)n1
InChIInChI=1S/C12H9ClFN3O2/c1-19-10-6-9(13)15-12(16-10)17-11(18)7-4-2-3-5-8(7)14/h2-6H,1H3,(H,15,16,17,18)
InChIKeyPNRDBFZLBUGJLT-UHFFFAOYSA-N
MW281.67 g/mol
LogP2.53
Rot. Bonds3

About N-(4-chloro-6-methoxypyrimidin-2-yl)-2-fluorobenzamide

N-(4-chloro-6-methoxypyrimidin-2-yl)-2-fluorobenzamide (PubChem CID 114052810) has the molecular formula C12H9ClFN3O2 and a molecular weight of 281.67 g/mol. Its IUPAC name is N-(4-chloro-6-methoxypyrimidin-2-yl)-2-fluorobenzamide.

Molecular Properties

Compound NameN-(4-chloro-6-methoxypyrimidin-2-yl)-2-fluorobenzamide
PubChem CID114052810
Molecular FormulaC12H9ClFN3O2
Molecular Weight281.67 g/mol
Exact Mass281.04
IUPAC NameN-(4-chloro-6-methoxypyrimidin-2-yl)-2-fluorobenzamide
SMILESCOc1cc(Cl)nc(NC(=O)c2ccccc2F)n1
InChIInChI=1S/C12H9ClFN3O2/c1-19-10-6-9(13)15-12(16-10)17-11(18)7-4-2-3-5-8(7)14/h2-6H,1H3,(H,15,16,17,18)
InChIKeyPNRDBFZLBUGJLT-UHFFFAOYSA-N
XLogP2.53
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.67
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-chloro-6-methoxypyrimidin-2-yl)-1,3-dimethylpyrazole-4-carboxamide
CID 114053520
N-(4-chloro-6-methoxypyrimidin-2-yl)-3-methylbenzamide
CID 114053555
2-amino-4-chloro-N-(4,6-dimethoxypyrimidin-2-yl)benzamide
CID 107624330
2-amino-5-chloro-N-(4,6-dimethoxypyrimidin-2-yl)benzamide
CID 107624336
N-(4,6-dimethoxypyrimidin-2-yl)benzamide
CID 4270193
2-bromo-N-(4,6-dimethoxypyrimidin-2-yl)-6-fluorobenzamide
CID 107626160
N-(4-chloro-6-methoxypyrimidin-2-yl)-3-methylthiophene-2-carboxamide
CID 114053499
N-(5-chloro-2,4-dimethoxyphenyl)-2-fluorobenzamide
CID 836294
4,5-dichloro-N-(4-chloro-6-methoxypyrimidin-2-yl)-1H-pyrrole-2-carboxamide
CID 114053534
N-(2,6-dichloro-3-pyridinyl)-2-fluorobenzamide
CID 15121533
3-amino-N-(4-chloro-6-methoxypyrimidin-2-yl)-1H-1,2,4-triazole-5-carboxamide
CID 114052912
2-amino-N-(4,6-dimethoxypyrimidin-2-yl)-3-fluoropyridine-4-carboxamide
CID 107632020

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-6-methoxypyrimidin-2-yl)-2-fluorobenzamide?
The IUPAC name of N-(4-chloro-6-methoxypyrimidin-2-yl)-2-fluorobenzamide (CID 114052810) is N-(4-chloro-6-methoxypyrimidin-2-yl)-2-fluorobenzamide.
What is the SMILES notation for N-(4-chloro-6-methoxypyrimidin-2-yl)-2-fluorobenzamide?
The canonical SMILES for N-(4-chloro-6-methoxypyrimidin-2-yl)-2-fluorobenzamide is COc1cc(Cl)nc(NC(=O)c2ccccc2F)n1.
What is the InChIKey of N-(4-chloro-6-methoxypyrimidin-2-yl)-2-fluorobenzamide?
The InChIKey is PNRDBFZLBUGJLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClFN3O2/c1-19-10-6-9(13)15-12(16-10)17-11(18)7-4-2-3-5-8(7)14/h2-6H,1H3,(H,15,16,17,18).
What are the key properties of N-(4-chloro-6-methoxypyrimidin-2-yl)-2-fluorobenzamide?
N-(4-chloro-6-methoxypyrimidin-2-yl)-2-fluorobenzamide has a molecular weight of 281.67 g/mol, XLogP of 2.53, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-6-methoxypyrimidin-2-yl)-2-fluorobenzamide is sourced from PubChem (CID 114052810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).