N-(5-carbamoyl-2-fluorophenyl)-4-methyl-2-oxo-6-pentan-2-ylpyran-3-carboxamide

C19H21FN2O4 — CID 170507977

IUPACN-(5-carbamoyl-2-fluorophenyl)-4-methyl-2-oxo-6-pentan-2-ylpyran-3-carboxamide
SMILESCCCC(C)c1cc(C)c(C(=O)Nc2cc(C(N)=O)ccc2F)c(=O)o1
InChIInChI=1S/C19H21FN2O4/c1-4-5-10(2)15-8-11(3)16(19(25)26-15)18(24)22-14-9-12(17(21)23)6-7-13(14)20/h6-10H,4-5H2,1-3H3,(H2,21,23)(H,22,24)
InChIKeyKMTIXAFDCRWQBD-UHFFFAOYSA-N
MW360.39 g/mol
LogP3.34
Rot. Bonds6

About N-(5-carbamoyl-2-fluorophenyl)-4-methyl-2-oxo-6-pentan-2-ylpyran-3-carboxamide

N-(5-carbamoyl-2-fluorophenyl)-4-methyl-2-oxo-6-pentan-2-ylpyran-3-carboxamide (PubChem CID 170507977) has the molecular formula C19H21FN2O4 and a molecular weight of 360.39 g/mol. Its IUPAC name is N-(5-carbamoyl-2-fluorophenyl)-4-methyl-2-oxo-6-pentan-2-ylpyran-3-carboxamide.

Molecular Properties

Compound NameN-(5-carbamoyl-2-fluorophenyl)-4-methyl-2-oxo-6-pentan-2-ylpyran-3-carboxamide
PubChem CID170507977
Molecular FormulaC19H21FN2O4
Molecular Weight360.39 g/mol
Exact Mass360.15
IUPAC NameN-(5-carbamoyl-2-fluorophenyl)-4-methyl-2-oxo-6-pentan-2-ylpyran-3-carboxamide
SMILESCCCC(C)c1cc(C)c(C(=O)Nc2cc(C(N)=O)ccc2F)c(=O)o1
InChIInChI=1S/C19H21FN2O4/c1-4-5-10(2)15-8-11(3)16(19(25)26-15)18(24)22-14-9-12(17(21)23)6-7-13(14)20/h6-10H,4-5H2,1-3H3,(H2,21,23)(H,22,24)
InChIKeyKMTIXAFDCRWQBD-UHFFFAOYSA-N
XLogP3.34
TPSA102.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.39
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-N-[2-methyl-5-(6-oxo-1H-pyridazin-3-yl)phenyl]-2-oxo-6-pentan-2-ylpyran-3-carboxamide
CID 170505762
3-(3-fluoroazetidine-1-carbonyl)-4-methyl-6-pentan-2-ylpyran-2-one
CID 170503893
3-[[2-(aminomethyl)-2-ethylbutanoyl]amino]-4-fluorobenzamide
CID 115431791
3-[[(2R)-2-amino-4-methylpentanoyl]amino]-4-fluorobenzamide
CID 104902798
methyl 2-(5-carbamoyl-2-fluoroanilino)propanoate
CID 66172503
3-[[4-(bromomethyl)benzoyl]amino]-4-fluorobenzamide
CID 102851126
3-[(2-aminoacetyl)amino]-4-fluorobenzamide
CID 43706066
4-fluoro-3-[1-(5-methylfuran-2-yl)ethylamino]benzamide
CID 43701200
3-[(2-ethoxyacetyl)amino]-4-fluorobenzamide
CID 60785607
3-[(2-amino-5-methoxypentanoyl)amino]-4-fluorobenzamide
CID 81083526
4-fluoro-3-(3-methylbutan-2-ylamino)benzamide
CID 43701145
4-fluoro-3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]benzamide
CID 43701304

Frequently Asked Questions

What is the IUPAC name of N-(5-carbamoyl-2-fluorophenyl)-4-methyl-2-oxo-6-pentan-2-ylpyran-3-carboxamide?
The IUPAC name of N-(5-carbamoyl-2-fluorophenyl)-4-methyl-2-oxo-6-pentan-2-ylpyran-3-carboxamide (CID 170507977) is N-(5-carbamoyl-2-fluorophenyl)-4-methyl-2-oxo-6-pentan-2-ylpyran-3-carboxamide.
What is the SMILES notation for N-(5-carbamoyl-2-fluorophenyl)-4-methyl-2-oxo-6-pentan-2-ylpyran-3-carboxamide?
The canonical SMILES for N-(5-carbamoyl-2-fluorophenyl)-4-methyl-2-oxo-6-pentan-2-ylpyran-3-carboxamide is CCCC(C)c1cc(C)c(C(=O)Nc2cc(C(N)=O)ccc2F)c(=O)o1.
What is the InChIKey of N-(5-carbamoyl-2-fluorophenyl)-4-methyl-2-oxo-6-pentan-2-ylpyran-3-carboxamide?
The InChIKey is KMTIXAFDCRWQBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O4/c1-4-5-10(2)15-8-11(3)16(19(25)26-15)18(24)22-14-9-12(17(21)23)6-7-13(14)20/h6-10H,4-5H2,1-3H3,(H2,21,23)(H,22,24).
What are the key properties of N-(5-carbamoyl-2-fluorophenyl)-4-methyl-2-oxo-6-pentan-2-ylpyran-3-carboxamide?
N-(5-carbamoyl-2-fluorophenyl)-4-methyl-2-oxo-6-pentan-2-ylpyran-3-carboxamide has a molecular weight of 360.39 g/mol, XLogP of 3.34, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-carbamoyl-2-fluorophenyl)-4-methyl-2-oxo-6-pentan-2-ylpyran-3-carboxamide is sourced from PubChem (CID 170507977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).