N-(3,4-difluoro-5-pyrimidin-5-yloxyphenyl)-3-methylbenzamide

C18H13F2N3O2 — CID 58337558

IUPACN-(3,4-difluoro-5-pyrimidin-5-yloxyphenyl)-3-methylbenzamide
SMILESCc1cccc(C(=O)Nc2cc(F)c(F)c(Oc3cncnc3)c2)c1
InChIInChI=1S/C18H13F2N3O2/c1-11-3-2-4-12(5-11)18(24)23-13-6-15(19)17(20)16(7-13)25-14-8-21-10-22-9-14/h2-10H,1H3,(H,23,24)
InChIKeyCIYYCORDGRHEDC-UHFFFAOYSA-N
MW341.32 g/mol
LogP4.11
Rot. Bonds4

About N-(3,4-difluoro-5-pyrimidin-5-yloxyphenyl)-3-methylbenzamide

N-(3,4-difluoro-5-pyrimidin-5-yloxyphenyl)-3-methylbenzamide (PubChem CID 58337558) has the molecular formula C18H13F2N3O2 and a molecular weight of 341.32 g/mol. Its IUPAC name is N-(3,4-difluoro-5-pyrimidin-5-yloxyphenyl)-3-methylbenzamide.

Molecular Properties

Compound NameN-(3,4-difluoro-5-pyrimidin-5-yloxyphenyl)-3-methylbenzamide
PubChem CID58337558
Molecular FormulaC18H13F2N3O2
Molecular Weight341.32 g/mol
Exact Mass341.10
IUPAC NameN-(3,4-difluoro-5-pyrimidin-5-yloxyphenyl)-3-methylbenzamide
SMILESCc1cccc(C(=O)Nc2cc(F)c(F)c(Oc3cncnc3)c2)c1
InChIInChI=1S/C18H13F2N3O2/c1-11-3-2-4-12(5-11)18(24)23-13-6-15(19)17(20)16(7-13)25-14-8-21-10-22-9-14/h2-10H,1H3,(H,23,24)
InChIKeyCIYYCORDGRHEDC-UHFFFAOYSA-N
XLogP4.11
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.32
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,6-dimethylphenyl)-4-[[4-[4-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide
CID 72724930
3-fluoro-N-[2-methyl-5-(2-morpholin-4-ylethoxy)phenyl]-4-[[5-methyl-4-[4-(trifluoromethoxy)phenyl]pyrimidin-2-yl]amino]benzamide
CID 137657103
3-({4-[(5-Methoxy-2-methylphenyl)amino]pyrimidin-2-yl}amino)benzamide
CID 25138023
2-(3-methoxy-phenylamino)-4-trifluoromethyl-pyrimidine-5-carboxylic acid, N-benzylamide
CID 10453719
3-tert-butyl-N-(3-(3-oxo-3,4-dihydropyrido[2,3-b]pyrazin-8-yloxy)phenyl)benzamide
CID 44133721
3-tert-butyl-N-(3-(2-methyl-3-oxo-3,4-dihydropyrido[2,3-b]pyrazin-8-yloxy) phenyl)benzamide
CID 44133905
3-tert-butyl-N-(3-(2-oxo-1,2-dihydropyrido[2,3-b]pyrazin-8-yloxy)phenyl)benzamide
CID 44134090
3-isopropyl-N-(4-methyl-3-(3-(2-(methylamino)pyrimidin-4-yl)pyridin-2-yloxy)phenyl)benzamide
CID 44440294
3-isopropyl-N-(3-(3-(4-(methylamino)-1,3,5-triazin-2-yl)pyridin-2-yloxy)phenyl)benzamide
CID 44440297
N-(4-fluoro-3-(3-(4-(methylamino)-1,3,5-triazin-2-yl)pyridin-2-yloxy)phenyl)-3-isopropylbenzamide
CID 44440298
3-isopropyl-N-(3-(3-(4-(methylamino)-1,3,5-triazin-2-yl)pyridin-2-yloxy)-5-(trifluoromethyl)phenyl)benzamide
CID 44440299
N-(4-methyl-3-(3-(4-(methylamino)-1,3,5-triazin-2-yl)pyridin-2-yloxy)phenyl)-3-(trifluoromethyl)benzamide
CID 44440302

Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluoro-5-pyrimidin-5-yloxyphenyl)-3-methylbenzamide?
The IUPAC name of N-(3,4-difluoro-5-pyrimidin-5-yloxyphenyl)-3-methylbenzamide (CID 58337558) is N-(3,4-difluoro-5-pyrimidin-5-yloxyphenyl)-3-methylbenzamide.
What is the SMILES notation for N-(3,4-difluoro-5-pyrimidin-5-yloxyphenyl)-3-methylbenzamide?
The canonical SMILES for N-(3,4-difluoro-5-pyrimidin-5-yloxyphenyl)-3-methylbenzamide is Cc1cccc(C(=O)Nc2cc(F)c(F)c(Oc3cncnc3)c2)c1.
What is the InChIKey of N-(3,4-difluoro-5-pyrimidin-5-yloxyphenyl)-3-methylbenzamide?
The InChIKey is CIYYCORDGRHEDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F2N3O2/c1-11-3-2-4-12(5-11)18(24)23-13-6-15(19)17(20)16(7-13)25-14-8-21-10-22-9-14/h2-10H,1H3,(H,23,24).
What are the key properties of N-(3,4-difluoro-5-pyrimidin-5-yloxyphenyl)-3-methylbenzamide?
N-(3,4-difluoro-5-pyrimidin-5-yloxyphenyl)-3-methylbenzamide has a molecular weight of 341.32 g/mol, XLogP of 4.11, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-difluoro-5-pyrimidin-5-yloxyphenyl)-3-methylbenzamide is sourced from PubChem (CID 58337558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).