N-[2,6-di(propan-2-yl)phenyl]-2-[(4-fluorophenyl)methylcarbamoylamino]acetamide

C22H28FN3O2 — CID 49381870

IUPACN-[2,6-di(propan-2-yl)phenyl]-2-[(4-fluorophenyl)methylcarbamoylamino]acetamide
SMILESCC(C)c1cccc(C(C)C)c1NC(=O)CNC(=O)NCc1ccc(F)cc1
InChIInChI=1S/C22H28FN3O2/c1-14(2)18-6-5-7-19(15(3)4)21(18)26-20(27)13-25-22(28)24-12-16-8-10-17(23)11-9-16/h5-11,14-15H,12-13H2,1-4H3,(H,26,27)(H2,24,25,28)
InChIKeyLTLCLIPTHVSLCC-UHFFFAOYSA-N
MW385.48 g/mol
LogP4.51
Rot. Bonds7

About N-[2,6-di(propan-2-yl)phenyl]-2-[(4-fluorophenyl)methylcarbamoylamino]acetamide

N-[2,6-di(propan-2-yl)phenyl]-2-[(4-fluorophenyl)methylcarbamoylamino]acetamide (PubChem CID 49381870) has the molecular formula C22H28FN3O2 and a molecular weight of 385.48 g/mol. Its IUPAC name is N-[2,6-di(propan-2-yl)phenyl]-2-[(4-fluorophenyl)methylcarbamoylamino]acetamide.

Molecular Properties

Compound NameN-[2,6-di(propan-2-yl)phenyl]-2-[(4-fluorophenyl)methylcarbamoylamino]acetamide
PubChem CID49381870
Molecular FormulaC22H28FN3O2
Molecular Weight385.48 g/mol
Exact Mass385.22
IUPAC NameN-[2,6-di(propan-2-yl)phenyl]-2-[(4-fluorophenyl)methylcarbamoylamino]acetamide
SMILESCC(C)c1cccc(C(C)C)c1NC(=O)CNC(=O)NCc1ccc(F)cc1
InChIInChI=1S/C22H28FN3O2/c1-14(2)18-6-5-7-19(15(3)4)21(18)26-20(27)13-25-22(28)24-12-16-8-10-17(23)11-9-16/h5-11,14-15H,12-13H2,1-4H3,(H,26,27)(H2,24,25,28)
InChIKeyLTLCLIPTHVSLCC-UHFFFAOYSA-N
XLogP4.51
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.48
LogP ≤ 54.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2,6-di(propan-2-yl)phenyl]-2-[(4-fluorophenyl)methylamino]acetamide
CID 108997808
N-[2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl]-2-(4-fluorophenyl)acetamide
CID 113000660
2-[(4-fluorophenyl)methylcarbamoylamino]-N-(4-propan-2-ylphenyl)acetamide
CID 24605074
N-[2,6-di(propan-2-yl)phenyl]-3-[(4-fluorophenyl)methylamino]propanamide
CID 109021297
2-(4-fluorophenyl)-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 7919869
N-(2,3-dimethylphenyl)-2-[(4-fluorophenyl)methylcarbamoylamino]acetamide
CID 24604792
N-(2,5-dimethylpyrazol-3-yl)-2-[(4-fluorophenyl)methylcarbamoylamino]acetamide
CID 60573872
N-[2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl]-2-methylpropanamide
CID 113000636
N-(3,5-dimethylphenyl)-2-[(4-fluorophenyl)methylcarbamoylamino]acetamide
CID 24605652
N-[1-(3-acetamidophenyl)ethyl]-2-[(4-fluorophenyl)methylcarbamoylamino]acetamide
CID 55599538
2-[4-[[2-[(4-fluorophenyl)methylcarbamoylamino]acetyl]amino]phenyl]-N-methylacetamide
CID 86923315
N-[2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl]butanamide
CID 113000635

Frequently Asked Questions

What is the IUPAC name of N-[2,6-di(propan-2-yl)phenyl]-2-[(4-fluorophenyl)methylcarbamoylamino]acetamide?
The IUPAC name of N-[2,6-di(propan-2-yl)phenyl]-2-[(4-fluorophenyl)methylcarbamoylamino]acetamide (CID 49381870) is N-[2,6-di(propan-2-yl)phenyl]-2-[(4-fluorophenyl)methylcarbamoylamino]acetamide.
What is the SMILES notation for N-[2,6-di(propan-2-yl)phenyl]-2-[(4-fluorophenyl)methylcarbamoylamino]acetamide?
The canonical SMILES for N-[2,6-di(propan-2-yl)phenyl]-2-[(4-fluorophenyl)methylcarbamoylamino]acetamide is CC(C)c1cccc(C(C)C)c1NC(=O)CNC(=O)NCc1ccc(F)cc1.
What is the InChIKey of N-[2,6-di(propan-2-yl)phenyl]-2-[(4-fluorophenyl)methylcarbamoylamino]acetamide?
The InChIKey is LTLCLIPTHVSLCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28FN3O2/c1-14(2)18-6-5-7-19(15(3)4)21(18)26-20(27)13-25-22(28)24-12-16-8-10-17(23)11-9-16/h5-11,14-15H,12-13H2,1-4H3,(H,26,27)(H2,24,25,28).
What are the key properties of N-[2,6-di(propan-2-yl)phenyl]-2-[(4-fluorophenyl)methylcarbamoylamino]acetamide?
N-[2,6-di(propan-2-yl)phenyl]-2-[(4-fluorophenyl)methylcarbamoylamino]acetamide has a molecular weight of 385.48 g/mol, XLogP of 4.51, 7 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,6-di(propan-2-yl)phenyl]-2-[(4-fluorophenyl)methylcarbamoylamino]acetamide is sourced from PubChem (CID 49381870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).