2-fluoro-N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]benzamide

C14H14FN3O2 — CID 121121043

IUPAC2-fluoro-N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]benzamide
SMILESCc1cncn(CCNC(=O)c2ccccc2F)c1=O
InChIInChI=1S/C14H14FN3O2/c1-10-8-16-9-18(14(10)20)7-6-17-13(19)11-4-2-3-5-12(11)15/h2-5,8-9H,6-7H2,1H3,(H,17,19)
InChIKeyVNIDYTLKPWVHTL-UHFFFAOYSA-N
MW275.28 g/mol
LogP1.12
Rot. Bonds4

About 2-fluoro-N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]benzamide

2-fluoro-N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]benzamide (PubChem CID 121121043) has the molecular formula C14H14FN3O2 and a molecular weight of 275.28 g/mol. Its IUPAC name is 2-fluoro-N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]benzamide.

Molecular Properties

Compound Name2-fluoro-N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]benzamide
PubChem CID121121043
Molecular FormulaC14H14FN3O2
Molecular Weight275.28 g/mol
Exact Mass275.11
IUPAC Name2-fluoro-N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]benzamide
SMILESCc1cncn(CCNC(=O)c2ccccc2F)c1=O
InChIInChI=1S/C14H14FN3O2/c1-10-8-16-9-18(14(10)20)7-6-17-13(19)11-4-2-3-5-12(11)15/h2-5,8-9H,6-7H2,1H3,(H,17,19)
InChIKeyVNIDYTLKPWVHTL-UHFFFAOYSA-N
XLogP1.12
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.28
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]benzamide
CID 121121030
N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]-2,2-diphenylacetamide
CID 121121241
2,5-dimethoxy-N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]benzamide
CID 121121150
N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]-1,2-oxazole-5-carboxamide
CID 121121180
N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]thiophene-2-carboxamide
CID 121121088
N-[2-[2-(5-methyl-6-oxopyrimidin-1-yl)ethylamino]-2-oxoethyl]benzamide
CID 121121115
2-(1,3-dioxoisoindol-2-yl)-N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]acetamide
CID 121121253
N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]-4-nitrobenzamide
CID 121121235
(E)-N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]-3-phenylprop-2-enamide
CID 121121239
1-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]-3-(3-phenylpropyl)urea
CID 121121413
1-[(4-fluorophenyl)methyl]-3-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]urea
CID 121121395
1-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]-3-(4-methylphenyl)urea
CID 121121360

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]benzamide?
The IUPAC name of 2-fluoro-N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]benzamide (CID 121121043) is 2-fluoro-N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]benzamide.
What is the SMILES notation for 2-fluoro-N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]benzamide?
The canonical SMILES for 2-fluoro-N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]benzamide is Cc1cncn(CCNC(=O)c2ccccc2F)c1=O.
What is the InChIKey of 2-fluoro-N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]benzamide?
The InChIKey is VNIDYTLKPWVHTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FN3O2/c1-10-8-16-9-18(14(10)20)7-6-17-13(19)11-4-2-3-5-12(11)15/h2-5,8-9H,6-7H2,1H3,(H,17,19).
What are the key properties of 2-fluoro-N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]benzamide?
2-fluoro-N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]benzamide has a molecular weight of 275.28 g/mol, XLogP of 1.12, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]benzamide is sourced from PubChem (CID 121121043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).