(4R)-N-tert-butyl-4-(3-fluorophenyl)-2-oxo-4-phenylbutanamide

C20H22FNO2 — CID 134950679

IUPAC(4R)-N-tert-butyl-4-(3-fluorophenyl)-2-oxo-4-phenylbutanamide
SMILESCC(C)(C)NC(=O)C(=O)C[C@H](c1ccccc1)c1cccc(F)c1
InChIInChI=1S/C20H22FNO2/c1-20(2,3)22-19(24)18(23)13-17(14-8-5-4-6-9-14)15-10-7-11-16(21)12-15/h4-12,17H,13H2,1-3H3,(H,22,24)/t17-/m1/s1
InChIKeyBEOKSQMJDBKORH-QGZVFWFLSA-N
MW327.40 g/mol
LogP3.83
Rot. Bonds5

About (4R)-N-tert-butyl-4-(3-fluorophenyl)-2-oxo-4-phenylbutanamide

(4R)-N-tert-butyl-4-(3-fluorophenyl)-2-oxo-4-phenylbutanamide (PubChem CID 134950679) has the molecular formula C20H22FNO2 and a molecular weight of 327.40 g/mol. Its IUPAC name is (4R)-N-tert-butyl-4-(3-fluorophenyl)-2-oxo-4-phenylbutanamide.

Molecular Properties

Compound Name(4R)-N-tert-butyl-4-(3-fluorophenyl)-2-oxo-4-phenylbutanamide
PubChem CID134950679
Molecular FormulaC20H22FNO2
Molecular Weight327.40 g/mol
Exact Mass327.16
IUPAC Name(4R)-N-tert-butyl-4-(3-fluorophenyl)-2-oxo-4-phenylbutanamide
SMILESCC(C)(C)NC(=O)C(=O)C[C@H](c1ccccc1)c1cccc(F)c1
InChIInChI=1S/C20H22FNO2/c1-20(2,3)22-19(24)18(23)13-17(14-8-5-4-6-9-14)15-10-7-11-16(21)12-15/h4-12,17H,13H2,1-3H3,(H,22,24)/t17-/m1/s1
InChIKeyBEOKSQMJDBKORH-QGZVFWFLSA-N
XLogP3.83
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.40
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 (4R)-N-tert-butyl-4-(3-fluorophenyl)-2-oxo-4-phenylbutanamide?
The IUPAC name of (4R)-N-tert-butyl-4-(3-fluorophenyl)-2-oxo-4-phenylbutanamide (CID 134950679) is (4R)-N-tert-butyl-4-(3-fluorophenyl)-2-oxo-4-phenylbutanamide.
What is the SMILES notation for (4R)-N-tert-butyl-4-(3-fluorophenyl)-2-oxo-4-phenylbutanamide?
The canonical SMILES for (4R)-N-tert-butyl-4-(3-fluorophenyl)-2-oxo-4-phenylbutanamide is CC(C)(C)NC(=O)C(=O)C[C@H](c1ccccc1)c1cccc(F)c1.
What is the InChIKey of (4R)-N-tert-butyl-4-(3-fluorophenyl)-2-oxo-4-phenylbutanamide?
The InChIKey is BEOKSQMJDBKORH-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H22FNO2/c1-20(2,3)22-19(24)18(23)13-17(14-8-5-4-6-9-14)15-10-7-11-16(21)12-15/h4-12,17H,13H2,1-3H3,(H,22,24)/t17-/m1/s1.
What are the key properties of (4R)-N-tert-butyl-4-(3-fluorophenyl)-2-oxo-4-phenylbutanamide?
(4R)-N-tert-butyl-4-(3-fluorophenyl)-2-oxo-4-phenylbutanamide has a molecular weight of 327.40 g/mol, XLogP of 3.83, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-N-tert-butyl-4-(3-fluorophenyl)-2-oxo-4-phenylbutanamide is sourced from PubChem (CID 134950679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).