5-amino-3-(5-chloro-2-fluoro-4-methylphenyl)-6-propan-2-yl-1H-pyridin-2-one

C15H16ClFN2O — CID 146296410

IUPAC5-amino-3-(5-chloro-2-fluoro-4-methylphenyl)-6-propan-2-yl-1H-pyridin-2-one
SMILESCc1cc(F)c(-c2cc(N)c(C(C)C)[nH]c2=O)cc1Cl
InChIInChI=1S/C15H16ClFN2O/c1-7(2)14-13(18)6-10(15(20)19-14)9-5-11(16)8(3)4-12(9)17/h4-7H,18H2,1-3H3,(H,19,20)
InChIKeyHTONROYQLHHUDC-UHFFFAOYSA-N
MW294.76 g/mol
LogP3.85
Rot. Bonds2

About 5-amino-3-(5-chloro-2-fluoro-4-methylphenyl)-6-propan-2-yl-1H-pyridin-2-one

5-amino-3-(5-chloro-2-fluoro-4-methylphenyl)-6-propan-2-yl-1H-pyridin-2-one (PubChem CID 146296410) has the molecular formula C15H16ClFN2O and a molecular weight of 294.76 g/mol. Its IUPAC name is 5-amino-3-(5-chloro-2-fluoro-4-methylphenyl)-6-propan-2-yl-1H-pyridin-2-one.

Molecular Properties

Compound Name5-amino-3-(5-chloro-2-fluoro-4-methylphenyl)-6-propan-2-yl-1H-pyridin-2-one
PubChem CID146296410
Molecular FormulaC15H16ClFN2O
Molecular Weight294.76 g/mol
Exact Mass294.09
IUPAC Name5-amino-3-(5-chloro-2-fluoro-4-methylphenyl)-6-propan-2-yl-1H-pyridin-2-one
SMILESCc1cc(F)c(-c2cc(N)c(C(C)C)[nH]c2=O)cc1Cl
InChIInChI=1S/C15H16ClFN2O/c1-7(2)14-13(18)6-10(15(20)19-14)9-5-11(16)8(3)4-12(9)17/h4-7H,18H2,1-3H3,(H,19,20)
InChIKeyHTONROYQLHHUDC-UHFFFAOYSA-N
XLogP3.85
TPSA58.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.76
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-amino-3-(5-chloro-2-fluoro-4-methylphenyl)-6-propan-2-yl-1H-pyridin-2-one?
The IUPAC name of 5-amino-3-(5-chloro-2-fluoro-4-methylphenyl)-6-propan-2-yl-1H-pyridin-2-one (CID 146296410) is 5-amino-3-(5-chloro-2-fluoro-4-methylphenyl)-6-propan-2-yl-1H-pyridin-2-one.
What is the SMILES notation for 5-amino-3-(5-chloro-2-fluoro-4-methylphenyl)-6-propan-2-yl-1H-pyridin-2-one?
The canonical SMILES for 5-amino-3-(5-chloro-2-fluoro-4-methylphenyl)-6-propan-2-yl-1H-pyridin-2-one is Cc1cc(F)c(-c2cc(N)c(C(C)C)[nH]c2=O)cc1Cl.
What is the InChIKey of 5-amino-3-(5-chloro-2-fluoro-4-methylphenyl)-6-propan-2-yl-1H-pyridin-2-one?
The InChIKey is HTONROYQLHHUDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClFN2O/c1-7(2)14-13(18)6-10(15(20)19-14)9-5-11(16)8(3)4-12(9)17/h4-7H,18H2,1-3H3,(H,19,20).
What are the key properties of 5-amino-3-(5-chloro-2-fluoro-4-methylphenyl)-6-propan-2-yl-1H-pyridin-2-one?
5-amino-3-(5-chloro-2-fluoro-4-methylphenyl)-6-propan-2-yl-1H-pyridin-2-one has a molecular weight of 294.76 g/mol, XLogP of 3.85, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-(5-chloro-2-fluoro-4-methylphenyl)-6-propan-2-yl-1H-pyridin-2-one is sourced from PubChem (CID 146296410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).