3-(difluoromethoxy)-N-(4-methylpyrimidin-2-yl)benzamide

C13H11F2N3O2 — CID 2354531

IUPAC3-(difluoromethoxy)-N-(4-methylpyrimidin-2-yl)benzamide
SMILESCc1ccnc(NC(=O)c2cccc(OC(F)F)c2)n1
InChIInChI=1S/C13H11F2N3O2/c1-8-5-6-16-13(17-8)18-11(19)9-3-2-4-10(7-9)20-12(14)15/h2-7,12H,1H3,(H,16,17,18,19)
InChIKeyGTNTUKROCVXWKR-UHFFFAOYSA-N
MW279.25 g/mol
LogP2.64
Rot. Bonds4

About 3-(difluoromethoxy)-N-(4-methylpyrimidin-2-yl)benzamide

3-(difluoromethoxy)-N-(4-methylpyrimidin-2-yl)benzamide (PubChem CID 2354531) has the molecular formula C13H11F2N3O2 and a molecular weight of 279.25 g/mol. Its IUPAC name is 3-(difluoromethoxy)-N-(4-methylpyrimidin-2-yl)benzamide.

Molecular Properties

Compound Name3-(difluoromethoxy)-N-(4-methylpyrimidin-2-yl)benzamide
PubChem CID2354531
Molecular FormulaC13H11F2N3O2
Molecular Weight279.25 g/mol
Exact Mass279.08
IUPAC Name3-(difluoromethoxy)-N-(4-methylpyrimidin-2-yl)benzamide
SMILESCc1ccnc(NC(=O)c2cccc(OC(F)F)c2)n1
InChIInChI=1S/C13H11F2N3O2/c1-8-5-6-16-13(17-8)18-11(19)9-3-2-4-10(7-9)20-12(14)15/h2-7,12H,1H3,(H,16,17,18,19)
InChIKeyGTNTUKROCVXWKR-UHFFFAOYSA-N
XLogP2.64
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.25
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Gnf-2
CID 5311510
1-[3-(2-Pyrimidinyloxy)phenyl]-1-ethanone
CID 2764392
4-methyl-3-(3-(pyrimidin-4-yl)pyridin-2-yloxy)-N-(3-(trifluoromethyl)phenyl)benzamide
CID 16108986
4-methyl-3-(3-(pyrimidin-4-yl)pyridin-2-yloxy)-N-(4-(trifluoromethyl)phenyl)benzamide
CID 16108987
4-Pyrimidinecarboxamide,2-amino-6-(3-methoxyphenyl)-n-(2-pyridinylmethyl)-
CID 44520951
4-Pyrimidinecarboxamide,2-amino-6-(3-methoxyphenyl)-n-[(3-methyl-2-pyridinyl)methyl]-
CID 44520964
[3-Methoxy-4-[[4-(methylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-morpholin-4-ylmethanone
CID 58539094
3-(Pyrimidin-2-yloxy)benzaldehyde
CID 2763336
3-(Pyridin-2-yl)-5-[3-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole
CID 9948499
3-methoxy-N-(6-methylpyridin-2-yl)benzamide
CID 585532
N-[6-(Cyclohexanecarbonyl-amino)-pyridin-3-yl]-3-methoxy-benzamide
CID 1452688
N-[6-(cyclopropanecarbonylamino)pyridin-3-yl]-3-methoxybenzamide
CID 1452890

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethoxy)-N-(4-methylpyrimidin-2-yl)benzamide?
The IUPAC name of 3-(difluoromethoxy)-N-(4-methylpyrimidin-2-yl)benzamide (CID 2354531) is 3-(difluoromethoxy)-N-(4-methylpyrimidin-2-yl)benzamide.
What is the SMILES notation for 3-(difluoromethoxy)-N-(4-methylpyrimidin-2-yl)benzamide?
The canonical SMILES for 3-(difluoromethoxy)-N-(4-methylpyrimidin-2-yl)benzamide is Cc1ccnc(NC(=O)c2cccc(OC(F)F)c2)n1.
What is the InChIKey of 3-(difluoromethoxy)-N-(4-methylpyrimidin-2-yl)benzamide?
The InChIKey is GTNTUKROCVXWKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F2N3O2/c1-8-5-6-16-13(17-8)18-11(19)9-3-2-4-10(7-9)20-12(14)15/h2-7,12H,1H3,(H,16,17,18,19).
What are the key properties of 3-(difluoromethoxy)-N-(4-methylpyrimidin-2-yl)benzamide?
3-(difluoromethoxy)-N-(4-methylpyrimidin-2-yl)benzamide has a molecular weight of 279.25 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethoxy)-N-(4-methylpyrimidin-2-yl)benzamide is sourced from PubChem (CID 2354531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).