4-[(2-chlorobenzoyl)amino]-N-ethyl-5-fluoro-2-oxopyrimidine-1-carboxamide

C14H12ClFN4O3 — CID 58138346

IUPAC4-[(2-chlorobenzoyl)amino]-N-ethyl-5-fluoro-2-oxopyrimidine-1-carboxamide
SMILESCCNC(=O)n1cc(F)c(NC(=O)c2ccccc2Cl)nc1=O
InChIInChI=1S/C14H12ClFN4O3/c1-2-17-13(22)20-7-10(16)11(19-14(20)23)18-12(21)8-5-3-4-6-9(8)15/h3-7H,2H2,1H3,(H,17,22)(H,18,19,21,23)
InChIKeyZVTIPIFQLAWHKI-UHFFFAOYSA-N
MW338.73 g/mol
LogP1.87
Rot. Bonds3

About 4-[(2-chlorobenzoyl)amino]-N-ethyl-5-fluoro-2-oxopyrimidine-1-carboxamide

4-[(2-chlorobenzoyl)amino]-N-ethyl-5-fluoro-2-oxopyrimidine-1-carboxamide (PubChem CID 58138346) has the molecular formula C14H12ClFN4O3 and a molecular weight of 338.73 g/mol. Its IUPAC name is 4-[(2-chlorobenzoyl)amino]-N-ethyl-5-fluoro-2-oxopyrimidine-1-carboxamide.

Molecular Properties

Compound Name4-[(2-chlorobenzoyl)amino]-N-ethyl-5-fluoro-2-oxopyrimidine-1-carboxamide
PubChem CID58138346
Molecular FormulaC14H12ClFN4O3
Molecular Weight338.73 g/mol
Exact Mass338.06
IUPAC Name4-[(2-chlorobenzoyl)amino]-N-ethyl-5-fluoro-2-oxopyrimidine-1-carboxamide
SMILESCCNC(=O)n1cc(F)c(NC(=O)c2ccccc2Cl)nc1=O
InChIInChI=1S/C14H12ClFN4O3/c1-2-17-13(22)20-7-10(16)11(19-14(20)23)18-12(21)8-5-3-4-6-9(8)15/h3-7H,2H2,1H3,(H,17,22)(H,18,19,21,23)
InChIKeyZVTIPIFQLAWHKI-UHFFFAOYSA-N
XLogP1.87
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.73
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-chlorobenzoyl)amino]-N-ethyl-5-fluoro-2-oxopyrimidine-1-carboxamide?
The IUPAC name of 4-[(2-chlorobenzoyl)amino]-N-ethyl-5-fluoro-2-oxopyrimidine-1-carboxamide (CID 58138346) is 4-[(2-chlorobenzoyl)amino]-N-ethyl-5-fluoro-2-oxopyrimidine-1-carboxamide.
What is the SMILES notation for 4-[(2-chlorobenzoyl)amino]-N-ethyl-5-fluoro-2-oxopyrimidine-1-carboxamide?
The canonical SMILES for 4-[(2-chlorobenzoyl)amino]-N-ethyl-5-fluoro-2-oxopyrimidine-1-carboxamide is CCNC(=O)n1cc(F)c(NC(=O)c2ccccc2Cl)nc1=O.
What is the InChIKey of 4-[(2-chlorobenzoyl)amino]-N-ethyl-5-fluoro-2-oxopyrimidine-1-carboxamide?
The InChIKey is ZVTIPIFQLAWHKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClFN4O3/c1-2-17-13(22)20-7-10(16)11(19-14(20)23)18-12(21)8-5-3-4-6-9(8)15/h3-7H,2H2,1H3,(H,17,22)(H,18,19,21,23).
What are the key properties of 4-[(2-chlorobenzoyl)amino]-N-ethyl-5-fluoro-2-oxopyrimidine-1-carboxamide?
4-[(2-chlorobenzoyl)amino]-N-ethyl-5-fluoro-2-oxopyrimidine-1-carboxamide has a molecular weight of 338.73 g/mol, XLogP of 1.87, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-chlorobenzoyl)amino]-N-ethyl-5-fluoro-2-oxopyrimidine-1-carboxamide is sourced from PubChem (CID 58138346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).