4-chloro-N-[2-(2-fluorophenoxy)-4,6-dimethylpyrimidin-5-yl]benzamide

C19H15ClFN3O2 — CID 91969101

IUPAC4-chloro-N-[2-(2-fluorophenoxy)-4,6-dimethylpyrimidin-5-yl]benzamide
SMILESCc1nc(Oc2ccccc2F)nc(C)c1NC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C19H15ClFN3O2/c1-11-17(24-18(25)13-7-9-14(20)10-8-13)12(2)23-19(22-11)26-16-6-4-3-5-15(16)21/h3-10H,1-2H3,(H,24,25)
InChIKeyKEKBLHPUAGHXRM-UHFFFAOYSA-N
MW371.80 g/mol
LogP4.93
Rot. Bonds4

About 4-chloro-N-[2-(2-fluorophenoxy)-4,6-dimethylpyrimidin-5-yl]benzamide

4-chloro-N-[2-(2-fluorophenoxy)-4,6-dimethylpyrimidin-5-yl]benzamide (PubChem CID 91969101) has the molecular formula C19H15ClFN3O2 and a molecular weight of 371.80 g/mol. Its IUPAC name is 4-chloro-N-[2-(2-fluorophenoxy)-4,6-dimethylpyrimidin-5-yl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[2-(2-fluorophenoxy)-4,6-dimethylpyrimidin-5-yl]benzamide
PubChem CID91969101
Molecular FormulaC19H15ClFN3O2
Molecular Weight371.80 g/mol
Exact Mass371.08
IUPAC Name4-chloro-N-[2-(2-fluorophenoxy)-4,6-dimethylpyrimidin-5-yl]benzamide
SMILESCc1nc(Oc2ccccc2F)nc(C)c1NC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C19H15ClFN3O2/c1-11-17(24-18(25)13-7-9-14(20)10-8-13)12(2)23-19(22-11)26-16-6-4-3-5-15(16)21/h3-10H,1-2H3,(H,24,25)
InChIKeyKEKBLHPUAGHXRM-UHFFFAOYSA-N
XLogP4.93
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.80
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(2-fluorophenoxy)-4,6-dimethylpyrimidin-5-yl]-4-methylbenzamide
CID 122303223
N-[2-(2-fluorophenoxy)-4,6-dimethylpyrimidin-5-yl]-4-(trifluoromethyl)benzamide
CID 91969103
N-[2-(2-fluorophenoxy)-4,6-dimethylpyrimidin-5-yl]-3,4,5-trimethoxybenzamide
CID 122303234
N-[2-(2-fluorophenoxy)-4,6-dimethylpyrimidin-5-yl]-3,5-dinitrobenzamide
CID 122303565
N-[2-(2-fluorophenoxy)-4,6-dimethylpyrimidin-5-yl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 122303389
N-[2-(2-fluorophenoxy)-4,6-dimethylpyrimidin-5-yl]-2-phenylacetamide
CID 122303244
N-[2-(2-fluorophenoxy)-4,6-dimethylpyrimidin-5-yl]-5-nitrofuran-2-carboxamide
CID 122303336
2-(2,4-difluorophenyl)-N-[2-(2-fluorophenoxy)-4,6-dimethylpyrimidin-5-yl]acetamide
CID 122303430
N-[2-(2-fluorophenoxy)-4,6-dimethylpyrimidin-5-yl]-3-(4-fluorophenyl)-1-methylpyrazole-5-carboxamide
CID 122303405
1-(2,4-dimethylphenyl)-3-[2-(2-fluorophenoxy)-4,6-dimethylpyrimidin-5-yl]urea
CID 122303288
N-(4,6-dimethyl-2-phenoxypyrimidin-5-yl)-4-(trifluoromethyl)benzamide
CID 91969154
(E)-N-[2-(2-fluorophenoxy)-4,6-dimethylpyrimidin-5-yl]-3-(4-methoxyphenyl)prop-2-enamide
CID 122303446

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2-(2-fluorophenoxy)-4,6-dimethylpyrimidin-5-yl]benzamide?
The IUPAC name of 4-chloro-N-[2-(2-fluorophenoxy)-4,6-dimethylpyrimidin-5-yl]benzamide (CID 91969101) is 4-chloro-N-[2-(2-fluorophenoxy)-4,6-dimethylpyrimidin-5-yl]benzamide.
What is the SMILES notation for 4-chloro-N-[2-(2-fluorophenoxy)-4,6-dimethylpyrimidin-5-yl]benzamide?
The canonical SMILES for 4-chloro-N-[2-(2-fluorophenoxy)-4,6-dimethylpyrimidin-5-yl]benzamide is Cc1nc(Oc2ccccc2F)nc(C)c1NC(=O)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[2-(2-fluorophenoxy)-4,6-dimethylpyrimidin-5-yl]benzamide?
The InChIKey is KEKBLHPUAGHXRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClFN3O2/c1-11-17(24-18(25)13-7-9-14(20)10-8-13)12(2)23-19(22-11)26-16-6-4-3-5-15(16)21/h3-10H,1-2H3,(H,24,25).
What are the key properties of 4-chloro-N-[2-(2-fluorophenoxy)-4,6-dimethylpyrimidin-5-yl]benzamide?
4-chloro-N-[2-(2-fluorophenoxy)-4,6-dimethylpyrimidin-5-yl]benzamide has a molecular weight of 371.80 g/mol, XLogP of 4.93, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[2-(2-fluorophenoxy)-4,6-dimethylpyrimidin-5-yl]benzamide is sourced from PubChem (CID 91969101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).