4-fluoro-3-methyl-N-[3-(6-oxo-1H-pyrimidin-4-yl)cyclobutyl]benzamide

C16H16FN3O2 — CID 136664769

IUPAC4-fluoro-3-methyl-N-[3-(6-oxo-1H-pyrimidin-4-yl)cyclobutyl]benzamide
SMILESCc1cc(C(=O)NC2CC(c3cc(=O)[nH]cn3)C2)ccc1F
InChIInChI=1S/C16H16FN3O2/c1-9-4-10(2-3-13(9)17)16(22)20-12-5-11(6-12)14-7-15(21)19-8-18-14/h2-4,7-8,11-12H,5-6H2,1H3,(H,20,22)(H,18,19,21)
InChIKeyPVVMPHRENINSCW-UHFFFAOYSA-N
MW301.32 g/mol
LogP1.89
Rot. Bonds3

About 4-fluoro-3-methyl-N-[3-(6-oxo-1H-pyrimidin-4-yl)cyclobutyl]benzamide

4-fluoro-3-methyl-N-[3-(6-oxo-1H-pyrimidin-4-yl)cyclobutyl]benzamide (PubChem CID 136664769) has the molecular formula C16H16FN3O2 and a molecular weight of 301.32 g/mol. Its IUPAC name is 4-fluoro-3-methyl-N-[3-(6-oxo-1H-pyrimidin-4-yl)cyclobutyl]benzamide.

Molecular Properties

Compound Name4-fluoro-3-methyl-N-[3-(6-oxo-1H-pyrimidin-4-yl)cyclobutyl]benzamide
PubChem CID136664769
Molecular FormulaC16H16FN3O2
Molecular Weight301.32 g/mol
Exact Mass301.12
IUPAC Name4-fluoro-3-methyl-N-[3-(6-oxo-1H-pyrimidin-4-yl)cyclobutyl]benzamide
SMILESCc1cc(C(=O)NC2CC(c3cc(=O)[nH]cn3)C2)ccc1F
InChIInChI=1S/C16H16FN3O2/c1-9-4-10(2-3-13(9)17)16(22)20-12-5-11(6-12)14-7-15(21)19-8-18-14/h2-4,7-8,11-12H,5-6H2,1H3,(H,20,22)(H,18,19,21)
InChIKeyPVVMPHRENINSCW-UHFFFAOYSA-N
XLogP1.89
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.32
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

cis-(1R,3S)-3-[(4-fluoro-3-methylbenzoyl)amino]cyclopentane-1-carboxylic acid
CID 97318365
N-(2-aminocyclopropyl)-4-fluoro-3-methylbenzamide
CID 63214074
N-(1,1-dioxothian-4-yl)-4-fluoro-3-methylbenzamide
CID 63212616
4-fluoro-3-methyl-N-[(3R)-piperidin-3-yl]benzamide
CID 95031837
4-fluoro-3-methyl-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)benzamide
CID 65470275
N-cyclobutyl-3,4-dimethylbenzamide;ethane
CID 142916267
4-[(4-fluoro-3-methylbenzoyl)amino]cyclopent-2-ene-1-carboxylic acid
CID 79210093
N-[1-(cyanomethyl)piperidin-4-yl]-4-fluoro-3-methylbenzamide
CID 63625209
4-fluoro-3-methyl-N-(2-phenylcyclopropyl)benzamide
CID 63213326
4-fluoro-3-methyl-N-[4-[2-(2-methyl-1,2,4-triazol-3-yl)ethylcarbamoyl]cyclohexyl]benzamide
CID 169412050
N-[4-[[4-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-2-yl]amino]cyclohexyl]-4-fluoro-3-methylbenzamide
CID 23027256
3-[(3-fluoro-4-methylbenzoyl)amino]cyclopentane-1-carboxylic acid
CID 66032533

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-methyl-N-[3-(6-oxo-1H-pyrimidin-4-yl)cyclobutyl]benzamide?
The IUPAC name of 4-fluoro-3-methyl-N-[3-(6-oxo-1H-pyrimidin-4-yl)cyclobutyl]benzamide (CID 136664769) is 4-fluoro-3-methyl-N-[3-(6-oxo-1H-pyrimidin-4-yl)cyclobutyl]benzamide.
What is the SMILES notation for 4-fluoro-3-methyl-N-[3-(6-oxo-1H-pyrimidin-4-yl)cyclobutyl]benzamide?
The canonical SMILES for 4-fluoro-3-methyl-N-[3-(6-oxo-1H-pyrimidin-4-yl)cyclobutyl]benzamide is Cc1cc(C(=O)NC2CC(c3cc(=O)[nH]cn3)C2)ccc1F.
What is the InChIKey of 4-fluoro-3-methyl-N-[3-(6-oxo-1H-pyrimidin-4-yl)cyclobutyl]benzamide?
The InChIKey is PVVMPHRENINSCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN3O2/c1-9-4-10(2-3-13(9)17)16(22)20-12-5-11(6-12)14-7-15(21)19-8-18-14/h2-4,7-8,11-12H,5-6H2,1H3,(H,20,22)(H,18,19,21).
What are the key properties of 4-fluoro-3-methyl-N-[3-(6-oxo-1H-pyrimidin-4-yl)cyclobutyl]benzamide?
4-fluoro-3-methyl-N-[3-(6-oxo-1H-pyrimidin-4-yl)cyclobutyl]benzamide has a molecular weight of 301.32 g/mol, XLogP of 1.89, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-methyl-N-[3-(6-oxo-1H-pyrimidin-4-yl)cyclobutyl]benzamide is sourced from PubChem (CID 136664769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).