tert-butyl N-[3-(3,5-difluoroanilino)cyclobutyl]carbamate

C15H20F2N2O2 — CID 80559388

IUPACtert-butyl N-[3-(3,5-difluoroanilino)cyclobutyl]carbamate
SMILESCC(C)(C)OC(=O)NC1CC(Nc2cc(F)cc(F)c2)C1
InChIInChI=1S/C15H20F2N2O2/c1-15(2,3)21-14(20)19-13-7-12(8-13)18-11-5-9(16)4-10(17)6-11/h4-6,12-13,18H,7-8H2,1-3H3,(H,19,20)
InChIKeyLZXRCDQUXFYERB-UHFFFAOYSA-N
MW298.33 g/mol
LogP3.43
Rot. Bonds3

About tert-butyl N-[3-(3,5-difluoroanilino)cyclobutyl]carbamate

tert-butyl N-[3-(3,5-difluoroanilino)cyclobutyl]carbamate (PubChem CID 80559388) has the molecular formula C15H20F2N2O2 and a molecular weight of 298.33 g/mol. Its IUPAC name is tert-butyl N-[3-(3,5-difluoroanilino)cyclobutyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-(3,5-difluoroanilino)cyclobutyl]carbamate
PubChem CID80559388
Molecular FormulaC15H20F2N2O2
Molecular Weight298.33 g/mol
Exact Mass298.15
IUPAC Nametert-butyl N-[3-(3,5-difluoroanilino)cyclobutyl]carbamate
SMILESCC(C)(C)OC(=O)NC1CC(Nc2cc(F)cc(F)c2)C1
InChIInChI=1S/C15H20F2N2O2/c1-15(2,3)21-14(20)19-13-7-12(8-13)18-11-5-9(16)4-10(17)6-11/h4-6,12-13,18H,7-8H2,1-3H3,(H,19,20)
InChIKeyLZXRCDQUXFYERB-UHFFFAOYSA-N
XLogP3.43
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.33
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze tert-butyl N-[3-(3,5-difluoroanilino)cyclobutyl]carbamate 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

tert-butyl N-[3-[1-(3,5-difluorophenyl)ethylamino]cyclobutyl]carbamate
CID 107239164
tert-butyl N-[3-(5-fluoro-2-methylanilino)cyclobutyl]carbamate
CID 80559248
tert-butyl N-[3-(3,4-dichloroanilino)cyclobutyl]carbamate
CID 80559110
tert-butyl N-[3-(4-fluoro-2-methoxyanilino)cyclobutyl]carbamate
CID 103759599
tert-butyl N-[3-(2,4,6-trichloroanilino)cyclobutyl]carbamate
CID 103759373
tert-butyl N-[3-(3-bromo-4-chloroanilino)cyclobutyl]carbamate
CID 80560979
tert-butyl N-[3-(2,4,6-tribromoanilino)cyclobutyl]carbamate
CID 103759372
tert-butyl N-[3-(quinolin-3-ylamino)cyclobutyl]carbamate
CID 103759434
tert-butyl N-[3-[4-[(2-methoxyacetyl)amino]anilino]cyclobutyl]carbamate
CID 113256330
tert-butyl N-[3-(3-propoxyanilino)cyclobutyl]carbamate
CID 103759438
tert-butyl N-[3-(2-bromo-4,6-difluoroanilino)cyclohexyl]carbamate
CID 113247870
tert-butyl N-[3-[(6-oxo-1-propyl-3-pyridinyl)amino]cyclobutyl]carbamate
CID 103759555

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-(3,5-difluoroanilino)cyclobutyl]carbamate?
The IUPAC name of tert-butyl N-[3-(3,5-difluoroanilino)cyclobutyl]carbamate (CID 80559388) is tert-butyl N-[3-(3,5-difluoroanilino)cyclobutyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-(3,5-difluoroanilino)cyclobutyl]carbamate?
The canonical SMILES for tert-butyl N-[3-(3,5-difluoroanilino)cyclobutyl]carbamate is CC(C)(C)OC(=O)NC1CC(Nc2cc(F)cc(F)c2)C1.
What is the InChIKey of tert-butyl N-[3-(3,5-difluoroanilino)cyclobutyl]carbamate?
The InChIKey is LZXRCDQUXFYERB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F2N2O2/c1-15(2,3)21-14(20)19-13-7-12(8-13)18-11-5-9(16)4-10(17)6-11/h4-6,12-13,18H,7-8H2,1-3H3,(H,19,20).
What are the key properties of tert-butyl N-[3-(3,5-difluoroanilino)cyclobutyl]carbamate?
tert-butyl N-[3-(3,5-difluoroanilino)cyclobutyl]carbamate has a molecular weight of 298.33 g/mol, XLogP of 3.43, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-(3,5-difluoroanilino)cyclobutyl]carbamate is sourced from PubChem (CID 80559388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).