5-(4-aminophenyl)-3-[(4-chloro-2-fluorophenyl)methyl]-1H-pyridin-2-one

C18H14ClFN2O — CID 69345475

IUPAC5-(4-aminophenyl)-3-[(4-chloro-2-fluorophenyl)methyl]-1H-pyridin-2-one
SMILESNc1ccc(-c2c[nH]c(=O)c(Cc3ccc(Cl)cc3F)c2)cc1
InChIInChI=1S/C18H14ClFN2O/c19-15-4-1-12(17(20)9-15)7-13-8-14(10-22-18(13)23)11-2-5-16(21)6-3-11/h1-6,8-10H,7,21H2,(H,22,23)
InChIKeyGPNDGGMGTAYOKB-UHFFFAOYSA-N
MW328.77 g/mol
LogP4.01
Rot. Bonds3

About 5-(4-aminophenyl)-3-[(4-chloro-2-fluorophenyl)methyl]-1H-pyridin-2-one

5-(4-aminophenyl)-3-[(4-chloro-2-fluorophenyl)methyl]-1H-pyridin-2-one (PubChem CID 69345475) has the molecular formula C18H14ClFN2O and a molecular weight of 328.77 g/mol. Its IUPAC name is 5-(4-aminophenyl)-3-[(4-chloro-2-fluorophenyl)methyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name5-(4-aminophenyl)-3-[(4-chloro-2-fluorophenyl)methyl]-1H-pyridin-2-one
PubChem CID69345475
Molecular FormulaC18H14ClFN2O
Molecular Weight328.77 g/mol
Exact Mass328.08
IUPAC Name5-(4-aminophenyl)-3-[(4-chloro-2-fluorophenyl)methyl]-1H-pyridin-2-one
SMILESNc1ccc(-c2c[nH]c(=O)c(Cc3ccc(Cl)cc3F)c2)cc1
InChIInChI=1S/C18H14ClFN2O/c19-15-4-1-12(17(20)9-15)7-13-8-14(10-22-18(13)23)11-2-5-16(21)6-3-11/h1-6,8-10H,7,21H2,(H,22,23)
InChIKeyGPNDGGMGTAYOKB-UHFFFAOYSA-N
XLogP4.01
TPSA58.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.77
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(4-aminophenyl)-3-[(4-chloro-2-fluorophenyl)methyl]-1H-pyridin-2-one?
The IUPAC name of 5-(4-aminophenyl)-3-[(4-chloro-2-fluorophenyl)methyl]-1H-pyridin-2-one (CID 69345475) is 5-(4-aminophenyl)-3-[(4-chloro-2-fluorophenyl)methyl]-1H-pyridin-2-one.
What is the SMILES notation for 5-(4-aminophenyl)-3-[(4-chloro-2-fluorophenyl)methyl]-1H-pyridin-2-one?
The canonical SMILES for 5-(4-aminophenyl)-3-[(4-chloro-2-fluorophenyl)methyl]-1H-pyridin-2-one is Nc1ccc(-c2c[nH]c(=O)c(Cc3ccc(Cl)cc3F)c2)cc1.
What is the InChIKey of 5-(4-aminophenyl)-3-[(4-chloro-2-fluorophenyl)methyl]-1H-pyridin-2-one?
The InChIKey is GPNDGGMGTAYOKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClFN2O/c19-15-4-1-12(17(20)9-15)7-13-8-14(10-22-18(13)23)11-2-5-16(21)6-3-11/h1-6,8-10H,7,21H2,(H,22,23).
What are the key properties of 5-(4-aminophenyl)-3-[(4-chloro-2-fluorophenyl)methyl]-1H-pyridin-2-one?
5-(4-aminophenyl)-3-[(4-chloro-2-fluorophenyl)methyl]-1H-pyridin-2-one has a molecular weight of 328.77 g/mol, XLogP of 4.01, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-aminophenyl)-3-[(4-chloro-2-fluorophenyl)methyl]-1H-pyridin-2-one is sourced from PubChem (CID 69345475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).