4-(3-amino-5-chlorophenoxy)-3-chloro-6-(2-phenylethyl)-1H-pyridin-2-one

C19H16Cl2N2O2 — CID 89091429

IUPAC4-(3-amino-5-chlorophenoxy)-3-chloro-6-(2-phenylethyl)-1H-pyridin-2-one
SMILESNc1cc(Cl)cc(Oc2cc(CCc3ccccc3)[nH]c(=O)c2Cl)c1
InChIInChI=1S/C19H16Cl2N2O2/c20-13-8-14(22)10-16(9-13)25-17-11-15(23-19(24)18(17)21)7-6-12-4-2-1-3-5-12/h1-5,8-11H,6-7,22H2,(H,23,24)
InChIKeyZUOIKPPURSMJNW-UHFFFAOYSA-N
MW375.26 g/mol
LogP4.84
Rot. Bonds5

About 4-(3-amino-5-chlorophenoxy)-3-chloro-6-(2-phenylethyl)-1H-pyridin-2-one

4-(3-amino-5-chlorophenoxy)-3-chloro-6-(2-phenylethyl)-1H-pyridin-2-one (PubChem CID 89091429) has the molecular formula C19H16Cl2N2O2 and a molecular weight of 375.26 g/mol. Its IUPAC name is 4-(3-amino-5-chlorophenoxy)-3-chloro-6-(2-phenylethyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name4-(3-amino-5-chlorophenoxy)-3-chloro-6-(2-phenylethyl)-1H-pyridin-2-one
PubChem CID89091429
Molecular FormulaC19H16Cl2N2O2
Molecular Weight375.26 g/mol
Exact Mass374.06
IUPAC Name4-(3-amino-5-chlorophenoxy)-3-chloro-6-(2-phenylethyl)-1H-pyridin-2-one
SMILESNc1cc(Cl)cc(Oc2cc(CCc3ccccc3)[nH]c(=O)c2Cl)c1
InChIInChI=1S/C19H16Cl2N2O2/c20-13-8-14(22)10-16(9-13)25-17-11-15(23-19(24)18(17)21)7-6-12-4-2-1-3-5-12/h1-5,8-11H,6-7,22H2,(H,23,24)
InChIKeyZUOIKPPURSMJNW-UHFFFAOYSA-N
XLogP4.84
TPSA68.11 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.26
LogP ≤ 54.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(3-amino-5-chlorophenoxy)-3-chloro-6-(2-phenylethyl)-1H-pyridin-2-one?
The IUPAC name of 4-(3-amino-5-chlorophenoxy)-3-chloro-6-(2-phenylethyl)-1H-pyridin-2-one (CID 89091429) is 4-(3-amino-5-chlorophenoxy)-3-chloro-6-(2-phenylethyl)-1H-pyridin-2-one.
What is the SMILES notation for 4-(3-amino-5-chlorophenoxy)-3-chloro-6-(2-phenylethyl)-1H-pyridin-2-one?
The canonical SMILES for 4-(3-amino-5-chlorophenoxy)-3-chloro-6-(2-phenylethyl)-1H-pyridin-2-one is Nc1cc(Cl)cc(Oc2cc(CCc3ccccc3)[nH]c(=O)c2Cl)c1.
What is the InChIKey of 4-(3-amino-5-chlorophenoxy)-3-chloro-6-(2-phenylethyl)-1H-pyridin-2-one?
The InChIKey is ZUOIKPPURSMJNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16Cl2N2O2/c20-13-8-14(22)10-16(9-13)25-17-11-15(23-19(24)18(17)21)7-6-12-4-2-1-3-5-12/h1-5,8-11H,6-7,22H2,(H,23,24).
What are the key properties of 4-(3-amino-5-chlorophenoxy)-3-chloro-6-(2-phenylethyl)-1H-pyridin-2-one?
4-(3-amino-5-chlorophenoxy)-3-chloro-6-(2-phenylethyl)-1H-pyridin-2-one has a molecular weight of 375.26 g/mol, XLogP of 4.84, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-amino-5-chlorophenoxy)-3-chloro-6-(2-phenylethyl)-1H-pyridin-2-one is sourced from PubChem (CID 89091429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).