N-(4,6-dimethoxy-5-phenylpyrimidin-2-yl)-4-fluorobenzamide

C19H16FN3O3 — CID 2322521

IUPACN-(4,6-dimethoxy-5-phenylpyrimidin-2-yl)-4-fluorobenzamide
SMILESCOc1nc(NC(=O)c2ccc(F)cc2)nc(OC)c1-c1ccccc1
InChIInChI=1S/C19H16FN3O3/c1-25-17-15(12-6-4-3-5-7-12)18(26-2)23-19(22-17)21-16(24)13-8-10-14(20)11-9-13/h3-11H,1-2H3,(H,21,22,23,24)
InChIKeySRBVSWFJZRRCMY-UHFFFAOYSA-N
MW353.35 g/mol
LogP3.55
Rot. Bonds5

About N-(4,6-dimethoxy-5-phenylpyrimidin-2-yl)-4-fluorobenzamide

N-(4,6-dimethoxy-5-phenylpyrimidin-2-yl)-4-fluorobenzamide (PubChem CID 2322521) has the molecular formula C19H16FN3O3 and a molecular weight of 353.35 g/mol. Its IUPAC name is N-(4,6-dimethoxy-5-phenylpyrimidin-2-yl)-4-fluorobenzamide.

Molecular Properties

Compound NameN-(4,6-dimethoxy-5-phenylpyrimidin-2-yl)-4-fluorobenzamide
PubChem CID2322521
Molecular FormulaC19H16FN3O3
Molecular Weight353.35 g/mol
Exact Mass353.12
IUPAC NameN-(4,6-dimethoxy-5-phenylpyrimidin-2-yl)-4-fluorobenzamide
SMILESCOc1nc(NC(=O)c2ccc(F)cc2)nc(OC)c1-c1ccccc1
InChIInChI=1S/C19H16FN3O3/c1-25-17-15(12-6-4-3-5-7-12)18(26-2)23-19(22-17)21-16(24)13-8-10-14(20)11-9-13/h3-11H,1-2H3,(H,21,22,23,24)
InChIKeySRBVSWFJZRRCMY-UHFFFAOYSA-N
XLogP3.55
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.35
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4,6-dimethoxy-5-phenylpyrimidin-2-yl)pyridine-3-carboxamide
CID 23799976
4-fluoro-N-(5-phenyl-1,2,4-thiadiazol-3-yl)benzamide
CID 2241556
4-fluoro-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)benzamide
CID 2304857
N-(4,6-dimethoxypyrimidin-2-yl)benzamide
CID 4270193
4-fluoro-N-pyrimidin-2-ylbenzamide
CID 797393
N-[4-(4-fluorophenyl)-5-phenyl-1,3-thiazol-2-yl]-4-phenylbenzamide
CID 126057357
4-fluoro-N-[3-(4-methoxyphenyl)-4-oxochromen-2-yl]benzamide
CID 7678084
4-[(4-fluorobenzoyl)amino]-N-(2-methoxyphenyl)benzamide
CID 2677066
2-[(4-fluorobenzoyl)amino]-N-(4-methoxyphenyl)benzamide
CID 2227245
N-(4-fluorophenyl)-2-[(4-methoxybenzoyl)amino]benzamide
CID 1307045
N-[4-(4-methoxyphenyl)-6-(4-methylphenyl)pyrimidin-2-yl]benzamide
CID 20896233
N-[5-[4-(4-fluorophenoxy)phenyl]-1,3,4-thiadiazol-2-yl]-4-methoxybenzamide
CID 139582491

Frequently Asked Questions

What is the IUPAC name of N-(4,6-dimethoxy-5-phenylpyrimidin-2-yl)-4-fluorobenzamide?
The IUPAC name of N-(4,6-dimethoxy-5-phenylpyrimidin-2-yl)-4-fluorobenzamide (CID 2322521) is N-(4,6-dimethoxy-5-phenylpyrimidin-2-yl)-4-fluorobenzamide.
What is the SMILES notation for N-(4,6-dimethoxy-5-phenylpyrimidin-2-yl)-4-fluorobenzamide?
The canonical SMILES for N-(4,6-dimethoxy-5-phenylpyrimidin-2-yl)-4-fluorobenzamide is COc1nc(NC(=O)c2ccc(F)cc2)nc(OC)c1-c1ccccc1.
What is the InChIKey of N-(4,6-dimethoxy-5-phenylpyrimidin-2-yl)-4-fluorobenzamide?
The InChIKey is SRBVSWFJZRRCMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FN3O3/c1-25-17-15(12-6-4-3-5-7-12)18(26-2)23-19(22-17)21-16(24)13-8-10-14(20)11-9-13/h3-11H,1-2H3,(H,21,22,23,24).
What are the key properties of N-(4,6-dimethoxy-5-phenylpyrimidin-2-yl)-4-fluorobenzamide?
N-(4,6-dimethoxy-5-phenylpyrimidin-2-yl)-4-fluorobenzamide has a molecular weight of 353.35 g/mol, XLogP of 3.55, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,6-dimethoxy-5-phenylpyrimidin-2-yl)-4-fluorobenzamide is sourced from PubChem (CID 2322521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).