4-benzamido-N-[(4-chlorophenyl)methyl]-5-fluoro-2-oxopyrimidine-1-carboxamide

C19H14ClFN4O3 — CID 58138357

IUPAC4-benzamido-N-[(4-chlorophenyl)methyl]-5-fluoro-2-oxopyrimidine-1-carboxamide
SMILESO=C(Nc1nc(=O)n(C(=O)NCc2ccc(Cl)cc2)cc1F)c1ccccc1
InChIInChI=1S/C19H14ClFN4O3/c20-14-8-6-12(7-9-14)10-22-18(27)25-11-15(21)16(24-19(25)28)23-17(26)13-4-2-1-3-5-13/h1-9,11H,10H2,(H,22,27)(H,23,24,26,28)
InChIKeyVHSBIQICLFRIOT-UHFFFAOYSA-N
MW400.80 g/mol
LogP3.05
Rot. Bonds4

About 4-benzamido-N-[(4-chlorophenyl)methyl]-5-fluoro-2-oxopyrimidine-1-carboxamide

4-benzamido-N-[(4-chlorophenyl)methyl]-5-fluoro-2-oxopyrimidine-1-carboxamide (PubChem CID 58138357) has the molecular formula C19H14ClFN4O3 and a molecular weight of 400.80 g/mol. Its IUPAC name is 4-benzamido-N-[(4-chlorophenyl)methyl]-5-fluoro-2-oxopyrimidine-1-carboxamide.

Molecular Properties

Compound Name4-benzamido-N-[(4-chlorophenyl)methyl]-5-fluoro-2-oxopyrimidine-1-carboxamide
PubChem CID58138357
Molecular FormulaC19H14ClFN4O3
Molecular Weight400.80 g/mol
Exact Mass400.07
IUPAC Name4-benzamido-N-[(4-chlorophenyl)methyl]-5-fluoro-2-oxopyrimidine-1-carboxamide
SMILESO=C(Nc1nc(=O)n(C(=O)NCc2ccc(Cl)cc2)cc1F)c1ccccc1
InChIInChI=1S/C19H14ClFN4O3/c20-14-8-6-12(7-9-14)10-22-18(27)25-11-15(21)16(24-19(25)28)23-17(26)13-4-2-1-3-5-13/h1-9,11H,10H2,(H,22,27)(H,23,24,26,28)
InChIKeyVHSBIQICLFRIOT-UHFFFAOYSA-N
XLogP3.05
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.80
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3-chloro-4-fluorophenyl)methyl]benzamide
CID 62721837
N-[(4-chlorophenyl)methyl]-4-fluorobenzamide
CID 2597668
4-N-[(4-chlorophenyl)methyl]-1-N-[(4-fluorophenyl)methyl]benzene-1,4-dicarboxamide
CID 109047229
N-[4-bromo-1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-4-fluorobenzamide
CID 11154069
N-[4-[(4-chlorophenyl)methylamino]phenyl]benzamide
CID 112982578
N-[3-[2-[(4-chlorophenyl)methylamino]-2-oxoethoxy]phenyl]benzamide
CID 78883909
4-chloro-N-[5-fluoro-1-[5-(hydroxymethyl)-2,5-dihydrofuran-2-yl]-2-oxopyrimidin-4-yl]benzamide
CID 10237167
N-[1-[(4-chlorophenyl)methylamino]-1-oxo-3-phenylpropan-2-yl]benzamide
CID 43010106
N-[4-(3-chloro-4-fluorophenyl)-3-oxopyrazin-2-yl]benzamide
CID 53118361
1-N-benzyl-3-N-(4-chlorophenyl)benzene-1,3-dicarboxamide
CID 109054145
N-[4-chloro-1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-4-phenylbenzamide
CID 19407354
2-N-[(4-chlorophenyl)methyl]-6-N-(4-fluorophenyl)pyridine-2,6-dicarboxamide
CID 109097951

Frequently Asked Questions

What is the IUPAC name of 4-benzamido-N-[(4-chlorophenyl)methyl]-5-fluoro-2-oxopyrimidine-1-carboxamide?
The IUPAC name of 4-benzamido-N-[(4-chlorophenyl)methyl]-5-fluoro-2-oxopyrimidine-1-carboxamide (CID 58138357) is 4-benzamido-N-[(4-chlorophenyl)methyl]-5-fluoro-2-oxopyrimidine-1-carboxamide.
What is the SMILES notation for 4-benzamido-N-[(4-chlorophenyl)methyl]-5-fluoro-2-oxopyrimidine-1-carboxamide?
The canonical SMILES for 4-benzamido-N-[(4-chlorophenyl)methyl]-5-fluoro-2-oxopyrimidine-1-carboxamide is O=C(Nc1nc(=O)n(C(=O)NCc2ccc(Cl)cc2)cc1F)c1ccccc1.
What is the InChIKey of 4-benzamido-N-[(4-chlorophenyl)methyl]-5-fluoro-2-oxopyrimidine-1-carboxamide?
The InChIKey is VHSBIQICLFRIOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClFN4O3/c20-14-8-6-12(7-9-14)10-22-18(27)25-11-15(21)16(24-19(25)28)23-17(26)13-4-2-1-3-5-13/h1-9,11H,10H2,(H,22,27)(H,23,24,26,28).
What are the key properties of 4-benzamido-N-[(4-chlorophenyl)methyl]-5-fluoro-2-oxopyrimidine-1-carboxamide?
4-benzamido-N-[(4-chlorophenyl)methyl]-5-fluoro-2-oxopyrimidine-1-carboxamide has a molecular weight of 400.80 g/mol, XLogP of 3.05, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzamido-N-[(4-chlorophenyl)methyl]-5-fluoro-2-oxopyrimidine-1-carboxamide is sourced from PubChem (CID 58138357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).