N-[2,6-di(propan-2-yl)phenyl]-2-[(2-fluorophenyl)methylamino]acetamide;oxalic acid

C23H29FN2O5 — CID 15945258

IUPACN-[2,6-di(propan-2-yl)phenyl]-2-[(2-fluorophenyl)methylamino]acetamide;oxalic acid
SMILESCC(C)c1cccc(C(C)C)c1NC(=O)CNCc1ccccc1F.O=C(O)C(=O)O
InChIInChI=1S/C21H27FN2O.C2H2O4/c1-14(2)17-9-7-10-18(15(3)4)21(17)24-20(25)13-23-12-16-8-5-6-11-19(16)22;3-1(4)2(5)6/h5-11,14-15,23H,12-13H2,1-4H3,(H,24,25);(H,3,4)(H,5,6)
InChIKeyJIFCANGPYNJGNY-UHFFFAOYSA-N
MW432.49 g/mol
LogP3.96
Rot. Bonds7

About N-[2,6-di(propan-2-yl)phenyl]-2-[(2-fluorophenyl)methylamino]acetamide;oxalic acid

N-[2,6-di(propan-2-yl)phenyl]-2-[(2-fluorophenyl)methylamino]acetamide;oxalic acid (PubChem CID 15945258) has the molecular formula C23H29FN2O5 and a molecular weight of 432.49 g/mol. Its IUPAC name is N-[2,6-di(propan-2-yl)phenyl]-2-[(2-fluorophenyl)methylamino]acetamide;oxalic acid.

Molecular Properties

Compound NameN-[2,6-di(propan-2-yl)phenyl]-2-[(2-fluorophenyl)methylamino]acetamide;oxalic acid
PubChem CID15945258
Molecular FormulaC23H29FN2O5
Molecular Weight432.49 g/mol
Exact Mass432.21
IUPAC NameN-[2,6-di(propan-2-yl)phenyl]-2-[(2-fluorophenyl)methylamino]acetamide;oxalic acid
SMILESCC(C)c1cccc(C(C)C)c1NC(=O)CNCc1ccccc1F.O=C(O)C(=O)O
InChIInChI=1S/C21H27FN2O.C2H2O4/c1-14(2)17-9-7-10-18(15(3)4)21(17)24-20(25)13-23-12-16-8-5-6-11-19(16)22;3-1(4)2(5)6/h5-11,14-15,23H,12-13H2,1-4H3,(H,24,25);(H,3,4)(H,5,6)
InChIKeyJIFCANGPYNJGNY-UHFFFAOYSA-N
XLogP3.96
TPSA115.73 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.49
LogP ≤ 53.96
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2,6-di(propan-2-yl)phenyl]-2-[(4-fluorophenyl)methylamino]acetamide
CID 108997808
N-[2,6-di(propan-2-yl)phenyl]-2-[[2-(3-methylphenyl)phenyl]methylamino]acetamide
CID 67942737
N-[2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl]-2-methylpropanamide
CID 113000636
1-N-[2,6-di(propan-2-yl)phenyl]-2-N-[(2-fluorophenyl)methyl]cyclopropane-1,2-dicarboxamide
CID 109135996
2-[(2-fluorophenyl)methylamino]acetic acid
CID 5005584
N-(3-fluorophenyl)-2-[(2-fluorophenyl)methylamino]acetamide
CID 28582619
N'-[2,6-di(propan-2-yl)phenyl]-N-[2-(2-fluorophenyl)ethyl]oxamide
CID 108985279
2-(2-fluorophenyl)sulfanyl-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 2591845
2-[[4-(dimethylamino)phenyl]methylamino]-N-[2,6-di(propan-2-yl)phenyl]acetamide
CID 19874958
2-[acetyl-[(2-fluorophenyl)methyl]amino]-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 113162240
N-[2,6-di(propan-2-yl)phenyl]-2-(1-phenylethylamino)acetamide
CID 4877514
N-[2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl]-2-(4-fluorophenyl)acetamide
CID 113000660

Frequently Asked Questions

What is the IUPAC name of N-[2,6-di(propan-2-yl)phenyl]-2-[(2-fluorophenyl)methylamino]acetamide;oxalic acid?
The IUPAC name of N-[2,6-di(propan-2-yl)phenyl]-2-[(2-fluorophenyl)methylamino]acetamide;oxalic acid (CID 15945258) is N-[2,6-di(propan-2-yl)phenyl]-2-[(2-fluorophenyl)methylamino]acetamide;oxalic acid.
What is the SMILES notation for N-[2,6-di(propan-2-yl)phenyl]-2-[(2-fluorophenyl)methylamino]acetamide;oxalic acid?
The canonical SMILES for N-[2,6-di(propan-2-yl)phenyl]-2-[(2-fluorophenyl)methylamino]acetamide;oxalic acid is CC(C)c1cccc(C(C)C)c1NC(=O)CNCc1ccccc1F.O=C(O)C(=O)O.
What is the InChIKey of N-[2,6-di(propan-2-yl)phenyl]-2-[(2-fluorophenyl)methylamino]acetamide;oxalic acid?
The InChIKey is JIFCANGPYNJGNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27FN2O.C2H2O4/c1-14(2)17-9-7-10-18(15(3)4)21(17)24-20(25)13-23-12-16-8-5-6-11-19(16)22;3-1(4)2(5)6/h5-11,14-15,23H,12-13H2,1-4H3,(H,24,25);(H,3,4)(H,5,6).
What are the key properties of N-[2,6-di(propan-2-yl)phenyl]-2-[(2-fluorophenyl)methylamino]acetamide;oxalic acid?
N-[2,6-di(propan-2-yl)phenyl]-2-[(2-fluorophenyl)methylamino]acetamide;oxalic acid has a molecular weight of 432.49 g/mol, XLogP of 3.96, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,6-di(propan-2-yl)phenyl]-2-[(2-fluorophenyl)methylamino]acetamide;oxalic acid is sourced from PubChem (CID 15945258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).