3-(4-chloro-3-fluorophenyl)-N-[2-(methylamino)-2-oxo-1-phenylethyl]-2-oxopropanamide

C18H16ClFN2O3 — CID 158063851

IUPAC3-(4-chloro-3-fluorophenyl)-N-[2-(methylamino)-2-oxo-1-phenylethyl]-2-oxopropanamide
SMILESCNC(=O)C(NC(=O)C(=O)Cc1ccc(Cl)c(F)c1)c1ccccc1
InChIInChI=1S/C18H16ClFN2O3/c1-21-18(25)16(12-5-3-2-4-6-12)22-17(24)15(23)10-11-7-8-13(19)14(20)9-11/h2-9,16H,10H2,1H3,(H,21,25)(H,22,24)
InChIKeyFKZFYKUBDILTIZ-UHFFFAOYSA-N
MW362.79 g/mol
LogP2.19
Rot. Bonds6

About 3-(4-chloro-3-fluorophenyl)-N-[2-(methylamino)-2-oxo-1-phenylethyl]-2-oxopropanamide

3-(4-chloro-3-fluorophenyl)-N-[2-(methylamino)-2-oxo-1-phenylethyl]-2-oxopropanamide (PubChem CID 158063851) has the molecular formula C18H16ClFN2O3 and a molecular weight of 362.79 g/mol. Its IUPAC name is 3-(4-chloro-3-fluorophenyl)-N-[2-(methylamino)-2-oxo-1-phenylethyl]-2-oxopropanamide.

Molecular Properties

Compound Name3-(4-chloro-3-fluorophenyl)-N-[2-(methylamino)-2-oxo-1-phenylethyl]-2-oxopropanamide
PubChem CID158063851
Molecular FormulaC18H16ClFN2O3
Molecular Weight362.79 g/mol
Exact Mass362.08
IUPAC Name3-(4-chloro-3-fluorophenyl)-N-[2-(methylamino)-2-oxo-1-phenylethyl]-2-oxopropanamide
SMILESCNC(=O)C(NC(=O)C(=O)Cc1ccc(Cl)c(F)c1)c1ccccc1
InChIInChI=1S/C18H16ClFN2O3/c1-21-18(25)16(12-5-3-2-4-6-12)22-17(24)15(23)10-11-7-8-13(19)14(20)9-11/h2-9,16H,10H2,1H3,(H,21,25)(H,22,24)
InChIKeyFKZFYKUBDILTIZ-UHFFFAOYSA-N
XLogP2.19
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.79
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chloro-3-fluorophenyl)-N-[2-(methylamino)-2-oxo-1-phenylethyl]-2-oxopropanamide?
The IUPAC name of 3-(4-chloro-3-fluorophenyl)-N-[2-(methylamino)-2-oxo-1-phenylethyl]-2-oxopropanamide (CID 158063851) is 3-(4-chloro-3-fluorophenyl)-N-[2-(methylamino)-2-oxo-1-phenylethyl]-2-oxopropanamide.
What is the SMILES notation for 3-(4-chloro-3-fluorophenyl)-N-[2-(methylamino)-2-oxo-1-phenylethyl]-2-oxopropanamide?
The canonical SMILES for 3-(4-chloro-3-fluorophenyl)-N-[2-(methylamino)-2-oxo-1-phenylethyl]-2-oxopropanamide is CNC(=O)C(NC(=O)C(=O)Cc1ccc(Cl)c(F)c1)c1ccccc1.
What is the InChIKey of 3-(4-chloro-3-fluorophenyl)-N-[2-(methylamino)-2-oxo-1-phenylethyl]-2-oxopropanamide?
The InChIKey is FKZFYKUBDILTIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClFN2O3/c1-21-18(25)16(12-5-3-2-4-6-12)22-17(24)15(23)10-11-7-8-13(19)14(20)9-11/h2-9,16H,10H2,1H3,(H,21,25)(H,22,24).
What are the key properties of 3-(4-chloro-3-fluorophenyl)-N-[2-(methylamino)-2-oxo-1-phenylethyl]-2-oxopropanamide?
3-(4-chloro-3-fluorophenyl)-N-[2-(methylamino)-2-oxo-1-phenylethyl]-2-oxopropanamide has a molecular weight of 362.79 g/mol, XLogP of 2.19, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloro-3-fluorophenyl)-N-[2-(methylamino)-2-oxo-1-phenylethyl]-2-oxopropanamide is sourced from PubChem (CID 158063851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).