N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-3-methylbenzamide;3-methyl-N-(3-pyrimidin-5-yloxyphenyl)benzamide

C36H29FN6O4 — CID 123377102

IUPACN-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-3-methylbenzamide;3-methyl-N-(3-pyrimidin-5-yloxyphenyl)benzamide
SMILESCc1cccc(C(=O)Nc2cc(F)cc(Oc3cncnc3)c2)c1.Cc1cccc(C(=O)Nc2cccc(Oc3cncnc3)c2)c1
InChIInChI=1S/C18H14FN3O2.C18H15N3O2/c1-12-3-2-4-13(5-12)18(23)22-15-6-14(19)7-16(8-15)24-17-9-20-11-21-10-17;1-13-4-2-5-14(8-13)18(22)21-15-6-3-7-16(9-15)23-17-10-19-12-20-11-17/h2-11H,1H3,(H,22,23);2-12H,1H3,(H,21,22)
InChIKeyTZAARKZWVJBFCQ-UHFFFAOYSA-N
MW628.66 g/mol
LogP7.80
Rot. Bonds8

About N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-3-methylbenzamide;3-methyl-N-(3-pyrimidin-5-yloxyphenyl)benzamide

N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-3-methylbenzamide;3-methyl-N-(3-pyrimidin-5-yloxyphenyl)benzamide (PubChem CID 123377102) has the molecular formula C36H29FN6O4 and a molecular weight of 628.66 g/mol. Its IUPAC name is N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-3-methylbenzamide;3-methyl-N-(3-pyrimidin-5-yloxyphenyl)benzamide.

Molecular Properties

Compound NameN-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-3-methylbenzamide;3-methyl-N-(3-pyrimidin-5-yloxyphenyl)benzamide
PubChem CID123377102
Molecular FormulaC36H29FN6O4
Molecular Weight628.66 g/mol
Exact Mass628.22
IUPAC NameN-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-3-methylbenzamide;3-methyl-N-(3-pyrimidin-5-yloxyphenyl)benzamide
SMILESCc1cccc(C(=O)Nc2cc(F)cc(Oc3cncnc3)c2)c1.Cc1cccc(C(=O)Nc2cccc(Oc3cncnc3)c2)c1
InChIInChI=1S/C18H14FN3O2.C18H15N3O2/c1-12-3-2-4-13(5-12)18(23)22-15-6-14(19)7-16(8-15)24-17-9-20-11-21-10-17;1-13-4-2-5-14(8-13)18(22)21-15-6-3-7-16(9-15)23-17-10-19-12-20-11-17/h2-11H,1H3,(H,22,23);2-12H,1H3,(H,21,22)
InChIKeyTZAARKZWVJBFCQ-UHFFFAOYSA-N
XLogP7.80
TPSA128.22 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500628.66
LogP ≤ 57.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

3-(dimethylsulfamoyl)-N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)benzamide;3-methyl-N-[3-pyrimidin-5-yloxy-5-(trifluoromethyl)phenyl]benzamide
CID 159213971
N-(3-fluorophenyl)-4-(3-methylphenoxy)benzamide
CID 16650951
N-(3,4-difluoro-5-pyrimidin-5-yloxyphenyl)-3-methylbenzamide;3-methoxy-N-(3-pyridin-3-yloxyphenyl)benzamide;3-methyl-N-[3-[(6-methyl-3-pyridinyl)oxy]phenyl]benzamide;3-methyl-N-(3-pyridin-3-yloxyphenyl)benzamide;6-methyl-N-(3-pyridin-3-yloxyphenyl)pyridine-2-carboxamide
CID 161093395
N-[3-[(3-fluorobenzoyl)amino]phenyl]-3-methylbenzamide
CID 46785922
N-(3-amino-5-fluorophenyl)-3-methylbenzamide
CID 107334074
3-methyl-N-(6-pyrimidin-5-yloxypyrazin-2-yl)benzamide
CID 58349120
4-fluoro-N-[4-(3-methylphenoxy)phenyl]benzamide
CID 2114068
N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-4-oxo-1H-pyridine-2-carboxamide
CID 58337549
ethane;3-methyl-N-pyridin-3-ylbenzamide
CID 145409327
5-methyl-N-(5-pyrimidin-5-yloxy-3-pyridinyl)pyridine-3-carboxamide
CID 58349141
3-(1,1-difluoroethyl)-N-(3-pyridin-3-yloxyphenyl)benzamide
CID 58337430
4-chloro-N-(3,4-difluoro-5-pyrimidin-5-yloxyphenyl)pyridine-2-carboxamide;N-[3-[(5-chloro-3-pyridinyl)oxy]phenyl]-3-methylbenzamide;N-(3-pyridin-3-yloxyphenyl)-1,3-thiazole-2-carboxamide
CID 123565915

Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-3-methylbenzamide;3-methyl-N-(3-pyrimidin-5-yloxyphenyl)benzamide?
The IUPAC name of N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-3-methylbenzamide;3-methyl-N-(3-pyrimidin-5-yloxyphenyl)benzamide (CID 123377102) is N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-3-methylbenzamide;3-methyl-N-(3-pyrimidin-5-yloxyphenyl)benzamide.
What is the SMILES notation for N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-3-methylbenzamide;3-methyl-N-(3-pyrimidin-5-yloxyphenyl)benzamide?
The canonical SMILES for N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-3-methylbenzamide;3-methyl-N-(3-pyrimidin-5-yloxyphenyl)benzamide is Cc1cccc(C(=O)Nc2cc(F)cc(Oc3cncnc3)c2)c1.Cc1cccc(C(=O)Nc2cccc(Oc3cncnc3)c2)c1.
What is the InChIKey of N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-3-methylbenzamide;3-methyl-N-(3-pyrimidin-5-yloxyphenyl)benzamide?
The InChIKey is TZAARKZWVJBFCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14FN3O2.C18H15N3O2/c1-12-3-2-4-13(5-12)18(23)22-15-6-14(19)7-16(8-15)24-17-9-20-11-21-10-17;1-13-4-2-5-14(8-13)18(22)21-15-6-3-7-16(9-15)23-17-10-19-12-20-11-17/h2-11H,1H3,(H,22,23);2-12H,1H3,(H,21,22).
What are the key properties of N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-3-methylbenzamide;3-methyl-N-(3-pyrimidin-5-yloxyphenyl)benzamide?
N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-3-methylbenzamide;3-methyl-N-(3-pyrimidin-5-yloxyphenyl)benzamide has a molecular weight of 628.66 g/mol, XLogP of 7.80, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-3-methylbenzamide;3-methyl-N-(3-pyrimidin-5-yloxyphenyl)benzamide is sourced from PubChem (CID 123377102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).