tert-butyl carbamate;2-(4-fluorophenyl)-N-(4-pyridin-4-ylphenyl)acetamide

C24H26FN3O3 — CID 174568523

IUPACtert-butyl carbamate;2-(4-fluorophenyl)-N-(4-pyridin-4-ylphenyl)acetamide
SMILESCC(C)(C)OC(N)=O.O=C(Cc1ccc(F)cc1)Nc1ccc(-c2ccncc2)cc1
InChIInChI=1S/C19H15FN2O.C5H11NO2/c20-17-5-1-14(2-6-17)13-19(23)22-18-7-3-15(4-8-18)16-9-11-21-12-10-16;1-5(2,3)8-4(6)7/h1-12H,13H2,(H,22,23);1-3H3,(H2,6,7)
InChIKeyKVFOIABXOTXPNG-UHFFFAOYSA-N
MW423.49 g/mol
LogP4.95
Rot. Bonds4

About tert-butyl carbamate;2-(4-fluorophenyl)-N-(4-pyridin-4-ylphenyl)acetamide

tert-butyl carbamate;2-(4-fluorophenyl)-N-(4-pyridin-4-ylphenyl)acetamide (PubChem CID 174568523) has the molecular formula C24H26FN3O3 and a molecular weight of 423.49 g/mol. Its IUPAC name is tert-butyl carbamate;2-(4-fluorophenyl)-N-(4-pyridin-4-ylphenyl)acetamide.

Molecular Properties

Compound Nametert-butyl carbamate;2-(4-fluorophenyl)-N-(4-pyridin-4-ylphenyl)acetamide
PubChem CID174568523
Molecular FormulaC24H26FN3O3
Molecular Weight423.49 g/mol
Exact Mass423.20
IUPAC Nametert-butyl carbamate;2-(4-fluorophenyl)-N-(4-pyridin-4-ylphenyl)acetamide
SMILESCC(C)(C)OC(N)=O.O=C(Cc1ccc(F)cc1)Nc1ccc(-c2ccncc2)cc1
InChIInChI=1S/C19H15FN2O.C5H11NO2/c20-17-5-1-14(2-6-17)13-19(23)22-18-7-3-15(4-8-18)16-9-11-21-12-10-16;1-5(2,3)8-4(6)7/h1-12H,13H2,(H,22,23);1-3H3,(H2,6,7)
InChIKeyKVFOIABXOTXPNG-UHFFFAOYSA-N
XLogP4.95
TPSA94.31 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.49
LogP ≤ 54.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze tert-butyl carbamate;2-(4-fluorophenyl)-N-(4-pyridin-4-ylphenyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-fluorophenyl)-2-pyridin-4-ylacetamide
CID 110697317
N-(4-fluorophenyl)-2-(4-methylphenyl)acetamide
CID 889367
2-(4-fluorophenyl)-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)acetamide
CID 35591078
2-(4-fluorophenyl)-N-[4-(1H-imidazol-2-yl)phenyl]acetamide
CID 110726518
2-(4-carbamothioylphenyl)-N-pyridin-4-ylacetamide
CID 63589271
N-[4-[5-(diaminomethylideneamino)pyrazin-2-yl]phenyl]-2-(4-fluorophenyl)acetamide
CID 123384692
N,2-dipyridin-4-ylacetamide
CID 110468100
N-[4-(2-aminoethyl)phenyl]-2-(4-fluorophenyl)acetamide
CID 28754531
2-(4-fluorophenyl)-N-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)acetamide
CID 11609085
N-(4-ethoxyphenyl)-2-(4-fluorophenyl)acetamide
CID 2289388
N-[4-(1-aminoethyl)phenyl]-2-(4-fluorophenyl)acetamide
CID 16790462
N-(4-chlorophenyl)-2-(4-fluorophenyl)acetamide
CID 7027780

Frequently Asked Questions

What is the IUPAC name of tert-butyl carbamate;2-(4-fluorophenyl)-N-(4-pyridin-4-ylphenyl)acetamide?
The IUPAC name of tert-butyl carbamate;2-(4-fluorophenyl)-N-(4-pyridin-4-ylphenyl)acetamide (CID 174568523) is tert-butyl carbamate;2-(4-fluorophenyl)-N-(4-pyridin-4-ylphenyl)acetamide.
What is the SMILES notation for tert-butyl carbamate;2-(4-fluorophenyl)-N-(4-pyridin-4-ylphenyl)acetamide?
The canonical SMILES for tert-butyl carbamate;2-(4-fluorophenyl)-N-(4-pyridin-4-ylphenyl)acetamide is CC(C)(C)OC(N)=O.O=C(Cc1ccc(F)cc1)Nc1ccc(-c2ccncc2)cc1.
What is the InChIKey of tert-butyl carbamate;2-(4-fluorophenyl)-N-(4-pyridin-4-ylphenyl)acetamide?
The InChIKey is KVFOIABXOTXPNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15FN2O.C5H11NO2/c20-17-5-1-14(2-6-17)13-19(23)22-18-7-3-15(4-8-18)16-9-11-21-12-10-16;1-5(2,3)8-4(6)7/h1-12H,13H2,(H,22,23);1-3H3,(H2,6,7).
What are the key properties of tert-butyl carbamate;2-(4-fluorophenyl)-N-(4-pyridin-4-ylphenyl)acetamide?
tert-butyl carbamate;2-(4-fluorophenyl)-N-(4-pyridin-4-ylphenyl)acetamide has a molecular weight of 423.49 g/mol, XLogP of 4.95, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl carbamate;2-(4-fluorophenyl)-N-(4-pyridin-4-ylphenyl)acetamide is sourced from PubChem (CID 174568523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).