N-[2-(2-fluorophenoxy)pyrimidin-5-yl]-3,4-dimethoxybenzamide

C19H16FN3O4 — CID 91968353

IUPACN-[2-(2-fluorophenoxy)pyrimidin-5-yl]-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)Nc2cnc(Oc3ccccc3F)nc2)cc1OC
InChIInChI=1S/C19H16FN3O4/c1-25-16-8-7-12(9-17(16)26-2)18(24)23-13-10-21-19(22-11-13)27-15-6-4-3-5-14(15)20/h3-11H,1-2H3,(H,23,24)
InChIKeyQQYQJSRYJMRXFU-UHFFFAOYSA-N
MW369.35 g/mol
LogP3.68
Rot. Bonds6

About N-[2-(2-fluorophenoxy)pyrimidin-5-yl]-3,4-dimethoxybenzamide

N-[2-(2-fluorophenoxy)pyrimidin-5-yl]-3,4-dimethoxybenzamide (PubChem CID 91968353) has the molecular formula C19H16FN3O4 and a molecular weight of 369.35 g/mol. Its IUPAC name is N-[2-(2-fluorophenoxy)pyrimidin-5-yl]-3,4-dimethoxybenzamide.

Molecular Properties

Compound NameN-[2-(2-fluorophenoxy)pyrimidin-5-yl]-3,4-dimethoxybenzamide
PubChem CID91968353
Molecular FormulaC19H16FN3O4
Molecular Weight369.35 g/mol
Exact Mass369.11
IUPAC NameN-[2-(2-fluorophenoxy)pyrimidin-5-yl]-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)Nc2cnc(Oc3ccccc3F)nc2)cc1OC
InChIInChI=1S/C19H16FN3O4/c1-25-16-8-7-12(9-17(16)26-2)18(24)23-13-10-21-19(22-11-13)27-15-6-4-3-5-14(15)20/h3-11H,1-2H3,(H,23,24)
InChIKeyQQYQJSRYJMRXFU-UHFFFAOYSA-N
XLogP3.68
TPSA82.57 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.35
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(3,4-dimethoxyphenyl)-3-[2-(2-fluorophenoxy)pyrimidin-5-yl]urea
CID 122303190
4-acetyl-N-[2-(2-fluorophenoxy)pyrimidin-5-yl]benzamide
CID 122303112
N-[2-(2-fluorophenoxy)pyrimidin-5-yl]pyridine-4-carboxamide
CID 91968386
N-[2-(2-fluorophenoxy)pyrimidin-5-yl]-2-methoxypyridine-3-carboxamide
CID 122303080
N-[2-(2-fluorophenoxy)pyrimidin-5-yl]-3-(tetrazol-1-yl)benzamide
CID 122303073
N-[2-(2-fluorophenoxy)pyrimidin-5-yl]-8-methoxy-2-oxochromene-3-carboxamide
CID 122302958
N-[2-(2-fluorophenoxy)pyrimidin-5-yl]-3-methoxy-1-methylpyrazole-4-carboxamide
CID 122303009
1-[2-(2-fluorophenoxy)pyrimidin-5-yl]-3-phenylurea
CID 71799859
N-[4-(2,6-difluoroanilino)phenyl]-3,4-dimethoxybenzamide
CID 112990211
N-[2-(2-fluorophenoxy)pyrimidin-5-yl]-2-iodobenzamide
CID 122303200
N-(3,5-difluorophenyl)-3,4-dimethoxybenzamide
CID 7336959
1-(3,5-difluorophenyl)-3-[2-(2-fluorophenoxy)pyrimidin-5-yl]urea
CID 122302932

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-fluorophenoxy)pyrimidin-5-yl]-3,4-dimethoxybenzamide?
The IUPAC name of N-[2-(2-fluorophenoxy)pyrimidin-5-yl]-3,4-dimethoxybenzamide (CID 91968353) is N-[2-(2-fluorophenoxy)pyrimidin-5-yl]-3,4-dimethoxybenzamide.
What is the SMILES notation for N-[2-(2-fluorophenoxy)pyrimidin-5-yl]-3,4-dimethoxybenzamide?
The canonical SMILES for N-[2-(2-fluorophenoxy)pyrimidin-5-yl]-3,4-dimethoxybenzamide is COc1ccc(C(=O)Nc2cnc(Oc3ccccc3F)nc2)cc1OC.
What is the InChIKey of N-[2-(2-fluorophenoxy)pyrimidin-5-yl]-3,4-dimethoxybenzamide?
The InChIKey is QQYQJSRYJMRXFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FN3O4/c1-25-16-8-7-12(9-17(16)26-2)18(24)23-13-10-21-19(22-11-13)27-15-6-4-3-5-14(15)20/h3-11H,1-2H3,(H,23,24).
What are the key properties of N-[2-(2-fluorophenoxy)pyrimidin-5-yl]-3,4-dimethoxybenzamide?
N-[2-(2-fluorophenoxy)pyrimidin-5-yl]-3,4-dimethoxybenzamide has a molecular weight of 369.35 g/mol, XLogP of 3.68, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-fluorophenoxy)pyrimidin-5-yl]-3,4-dimethoxybenzamide is sourced from PubChem (CID 91968353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).