benzyl N-[3,5-difluoro-4-(3-methoxy-3-methylcyclobutyl)phenyl]carbamate

C20H21F2NO3 — CID 69499605

IUPACbenzyl N-[3,5-difluoro-4-(3-methoxy-3-methylcyclobutyl)phenyl]carbamate
SMILESCOC1(C)CC(c2c(F)cc(NC(=O)OCc3ccccc3)cc2F)C1
InChIInChI=1S/C20H21F2NO3/c1-20(25-2)10-14(11-20)18-16(21)8-15(9-17(18)22)23-19(24)26-12-13-6-4-3-5-7-13/h3-9,14H,10-12H2,1-2H3,(H,23,24)
InChIKeyQNAJKDXRBABWKI-UHFFFAOYSA-N
MW361.39 g/mol
LogP5.00
Rot. Bonds5

About benzyl N-[3,5-difluoro-4-(3-methoxy-3-methylcyclobutyl)phenyl]carbamate

benzyl N-[3,5-difluoro-4-(3-methoxy-3-methylcyclobutyl)phenyl]carbamate (PubChem CID 69499605) has the molecular formula C20H21F2NO3 and a molecular weight of 361.39 g/mol. Its IUPAC name is benzyl N-[3,5-difluoro-4-(3-methoxy-3-methylcyclobutyl)phenyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[3,5-difluoro-4-(3-methoxy-3-methylcyclobutyl)phenyl]carbamate
PubChem CID69499605
Molecular FormulaC20H21F2NO3
Molecular Weight361.39 g/mol
Exact Mass361.15
IUPAC Namebenzyl N-[3,5-difluoro-4-(3-methoxy-3-methylcyclobutyl)phenyl]carbamate
SMILESCOC1(C)CC(c2c(F)cc(NC(=O)OCc3ccccc3)cc2F)C1
InChIInChI=1S/C20H21F2NO3/c1-20(25-2)10-14(11-20)18-16(21)8-15(9-17(18)22)23-19(24)26-12-13-6-4-3-5-7-13/h3-9,14H,10-12H2,1-2H3,(H,23,24)
InChIKeyQNAJKDXRBABWKI-UHFFFAOYSA-N
XLogP5.00
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.39
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze benzyl N-[3,5-difluoro-4-(3-methoxy-3-methylcyclobutyl)phenyl]carbamate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of benzyl N-[3,5-difluoro-4-(3-methoxy-3-methylcyclobutyl)phenyl]carbamate?
The IUPAC name of benzyl N-[3,5-difluoro-4-(3-methoxy-3-methylcyclobutyl)phenyl]carbamate (CID 69499605) is benzyl N-[3,5-difluoro-4-(3-methoxy-3-methylcyclobutyl)phenyl]carbamate.
What is the SMILES notation for benzyl N-[3,5-difluoro-4-(3-methoxy-3-methylcyclobutyl)phenyl]carbamate?
The canonical SMILES for benzyl N-[3,5-difluoro-4-(3-methoxy-3-methylcyclobutyl)phenyl]carbamate is COC1(C)CC(c2c(F)cc(NC(=O)OCc3ccccc3)cc2F)C1.
What is the InChIKey of benzyl N-[3,5-difluoro-4-(3-methoxy-3-methylcyclobutyl)phenyl]carbamate?
The InChIKey is QNAJKDXRBABWKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F2NO3/c1-20(25-2)10-14(11-20)18-16(21)8-15(9-17(18)22)23-19(24)26-12-13-6-4-3-5-7-13/h3-9,14H,10-12H2,1-2H3,(H,23,24).
What are the key properties of benzyl N-[3,5-difluoro-4-(3-methoxy-3-methylcyclobutyl)phenyl]carbamate?
benzyl N-[3,5-difluoro-4-(3-methoxy-3-methylcyclobutyl)phenyl]carbamate has a molecular weight of 361.39 g/mol, XLogP of 5.00, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[3,5-difluoro-4-(3-methoxy-3-methylcyclobutyl)phenyl]carbamate is sourced from PubChem (CID 69499605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).