4-benzamido-5-fluoro-2-oxo-N-propylpyrimidine-1-carboxamide

C15H15FN4O3 — CID 58138331

IUPAC4-benzamido-5-fluoro-2-oxo-N-propylpyrimidine-1-carboxamide
SMILESCCCNC(=O)n1cc(F)c(NC(=O)c2ccccc2)nc1=O
InChIInChI=1S/C15H15FN4O3/c1-2-8-17-14(22)20-9-11(16)12(19-15(20)23)18-13(21)10-6-4-3-5-7-10/h3-7,9H,2,8H2,1H3,(H,17,22)(H,18,19,21,23)
InChIKeyPWMWFQJKWQBMQY-UHFFFAOYSA-N
MW318.31 g/mol
LogP1.60
Rot. Bonds4

About 4-benzamido-5-fluoro-2-oxo-N-propylpyrimidine-1-carboxamide

4-benzamido-5-fluoro-2-oxo-N-propylpyrimidine-1-carboxamide (PubChem CID 58138331) has the molecular formula C15H15FN4O3 and a molecular weight of 318.31 g/mol. Its IUPAC name is 4-benzamido-5-fluoro-2-oxo-N-propylpyrimidine-1-carboxamide.

Molecular Properties

Compound Name4-benzamido-5-fluoro-2-oxo-N-propylpyrimidine-1-carboxamide
PubChem CID58138331
Molecular FormulaC15H15FN4O3
Molecular Weight318.31 g/mol
Exact Mass318.11
IUPAC Name4-benzamido-5-fluoro-2-oxo-N-propylpyrimidine-1-carboxamide
SMILESCCCNC(=O)n1cc(F)c(NC(=O)c2ccccc2)nc1=O
InChIInChI=1S/C15H15FN4O3/c1-2-8-17-14(22)20-9-11(16)12(19-15(20)23)18-13(21)10-6-4-3-5-7-10/h3-7,9H,2,8H2,1H3,(H,17,22)(H,18,19,21,23)
InChIKeyPWMWFQJKWQBMQY-UHFFFAOYSA-N
XLogP1.60
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.31
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-benzamido-N-[(4-chlorophenyl)methyl]-5-fluoro-2-oxopyrimidine-1-carboxamide
CID 58138357
3-benzoyl-5-fluoro-N-octyl-2,4-dioxopyrimidine-1-carboxamide
CID 72550231
[4-(4-benzamido-5-fluoro-2-oxopyrimidin-1-yl)-1,3-oxathiolan-2-yl]methyl benzoate
CID 68717115
(E)-but-2-enedioic acid;N-propylbenzamide
CID 69498373
2-[(3-fluorobenzoyl)amino]-N-propylbenzamide
CID 8002041
N-[1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-5-fluoro-2-oxopyrimidin-4-yl]-3-methylbenzamide
CID 54177062
N-[1-[(2R,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-5-fluoro-2-oxopyrimidin-4-yl]pyridine-3-carboxamide
CID 57172039
N-(5-fluoro-1H-1,2,4-triazol-3-yl)benzamide
CID 174732439
4-ethyl-N-[5-fluoro-1-[5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide
CID 10193746
3,5-difluoro-N-[2-(propylcarbamoyl)phenyl]benzamide
CID 8750781
[(2S,3aS,5R,6R,6aR)-2-(4-benzamido-5-fluoro-2-oxopyrimidin-1-yl)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3a-phenyl-3,5,6,6a-tetrahydro-2H-furo[3,2-b]furan-6-yl] acetate
CID 11585783
2,3-diphenyl-N-propylquinoxaline-6-carboxamide
CID 3107662

Frequently Asked Questions

What is the IUPAC name of 4-benzamido-5-fluoro-2-oxo-N-propylpyrimidine-1-carboxamide?
The IUPAC name of 4-benzamido-5-fluoro-2-oxo-N-propylpyrimidine-1-carboxamide (CID 58138331) is 4-benzamido-5-fluoro-2-oxo-N-propylpyrimidine-1-carboxamide.
What is the SMILES notation for 4-benzamido-5-fluoro-2-oxo-N-propylpyrimidine-1-carboxamide?
The canonical SMILES for 4-benzamido-5-fluoro-2-oxo-N-propylpyrimidine-1-carboxamide is CCCNC(=O)n1cc(F)c(NC(=O)c2ccccc2)nc1=O.
What is the InChIKey of 4-benzamido-5-fluoro-2-oxo-N-propylpyrimidine-1-carboxamide?
The InChIKey is PWMWFQJKWQBMQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN4O3/c1-2-8-17-14(22)20-9-11(16)12(19-15(20)23)18-13(21)10-6-4-3-5-7-10/h3-7,9H,2,8H2,1H3,(H,17,22)(H,18,19,21,23).
What are the key properties of 4-benzamido-5-fluoro-2-oxo-N-propylpyrimidine-1-carboxamide?
4-benzamido-5-fluoro-2-oxo-N-propylpyrimidine-1-carboxamide has a molecular weight of 318.31 g/mol, XLogP of 1.60, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzamido-5-fluoro-2-oxo-N-propylpyrimidine-1-carboxamide is sourced from PubChem (CID 58138331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).