4-[(2-chlorobenzoyl)amino]-5-fluoro-2-oxo-N-propylpyrimidine-1-carboxamide

C15H14ClFN4O3 — CID 58138355

IUPAC4-[(2-chlorobenzoyl)amino]-5-fluoro-2-oxo-N-propylpyrimidine-1-carboxamide
SMILESCCCNC(=O)n1cc(F)c(NC(=O)c2ccccc2Cl)nc1=O
InChIInChI=1S/C15H14ClFN4O3/c1-2-7-18-14(23)21-8-11(17)12(20-15(21)24)19-13(22)9-5-3-4-6-10(9)16/h3-6,8H,2,7H2,1H3,(H,18,23)(H,19,20,22,24)
InChIKeyLHVDGZOVCMLNKK-UHFFFAOYSA-N
MW352.75 g/mol
LogP2.26
Rot. Bonds4

About 4-[(2-chlorobenzoyl)amino]-5-fluoro-2-oxo-N-propylpyrimidine-1-carboxamide

4-[(2-chlorobenzoyl)amino]-5-fluoro-2-oxo-N-propylpyrimidine-1-carboxamide (PubChem CID 58138355) has the molecular formula C15H14ClFN4O3 and a molecular weight of 352.75 g/mol. Its IUPAC name is 4-[(2-chlorobenzoyl)amino]-5-fluoro-2-oxo-N-propylpyrimidine-1-carboxamide.

Molecular Properties

Compound Name4-[(2-chlorobenzoyl)amino]-5-fluoro-2-oxo-N-propylpyrimidine-1-carboxamide
PubChem CID58138355
Molecular FormulaC15H14ClFN4O3
Molecular Weight352.75 g/mol
Exact Mass352.07
IUPAC Name4-[(2-chlorobenzoyl)amino]-5-fluoro-2-oxo-N-propylpyrimidine-1-carboxamide
SMILESCCCNC(=O)n1cc(F)c(NC(=O)c2ccccc2Cl)nc1=O
InChIInChI=1S/C15H14ClFN4O3/c1-2-7-18-14(23)21-8-11(17)12(20-15(21)24)19-13(22)9-5-3-4-6-10(9)16/h3-6,8H,2,7H2,1H3,(H,18,23)(H,19,20,22,24)
InChIKeyLHVDGZOVCMLNKK-UHFFFAOYSA-N
XLogP2.26
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.75
LogP ≤ 52.26
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]-5-fluoro-2-oxo-N-propylpyrimidine-1-carboxamide?
The IUPAC name of 4-[(2-chlorobenzoyl)amino]-5-fluoro-2-oxo-N-propylpyrimidine-1-carboxamide (CID 58138355) is 4-[(2-chlorobenzoyl)amino]-5-fluoro-2-oxo-N-propylpyrimidine-1-carboxamide.
What is the SMILES notation for 4-[(2-chlorobenzoyl)amino]-5-fluoro-2-oxo-N-propylpyrimidine-1-carboxamide?
The canonical SMILES for 4-[(2-chlorobenzoyl)amino]-5-fluoro-2-oxo-N-propylpyrimidine-1-carboxamide is CCCNC(=O)n1cc(F)c(NC(=O)c2ccccc2Cl)nc1=O.
What is the InChIKey of 4-[(2-chlorobenzoyl)amino]-5-fluoro-2-oxo-N-propylpyrimidine-1-carboxamide?
The InChIKey is LHVDGZOVCMLNKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClFN4O3/c1-2-7-18-14(23)21-8-11(17)12(20-15(21)24)19-13(22)9-5-3-4-6-10(9)16/h3-6,8H,2,7H2,1H3,(H,18,23)(H,19,20,22,24).
What are the key properties of 4-[(2-chlorobenzoyl)amino]-5-fluoro-2-oxo-N-propylpyrimidine-1-carboxamide?
4-[(2-chlorobenzoyl)amino]-5-fluoro-2-oxo-N-propylpyrimidine-1-carboxamide has a molecular weight of 352.75 g/mol, XLogP of 2.26, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-chlorobenzoyl)amino]-5-fluoro-2-oxo-N-propylpyrimidine-1-carboxamide is sourced from PubChem (CID 58138355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).