benzyl N-[3-(4-fluoro-2-methylanilino)cyclobutyl]carbamate

C19H21FN2O2 — CID 103392833

IUPACbenzyl N-[3-(4-fluoro-2-methylanilino)cyclobutyl]carbamate
SMILESCc1cc(F)ccc1NC1CC(NC(=O)OCc2ccccc2)C1
InChIInChI=1S/C19H21FN2O2/c1-13-9-15(20)7-8-18(13)21-16-10-17(11-16)22-19(23)24-12-14-5-3-2-4-6-14/h2-9,16-17,21H,10-12H2,1H3,(H,22,23)
InChIKeyCRHGZYVSELSTHX-UHFFFAOYSA-N
MW328.39 g/mol
LogP4.00
Rot. Bonds5

About benzyl N-[3-(4-fluoro-2-methylanilino)cyclobutyl]carbamate

benzyl N-[3-(4-fluoro-2-methylanilino)cyclobutyl]carbamate (PubChem CID 103392833) has the molecular formula C19H21FN2O2 and a molecular weight of 328.39 g/mol. Its IUPAC name is benzyl N-[3-(4-fluoro-2-methylanilino)cyclobutyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[3-(4-fluoro-2-methylanilino)cyclobutyl]carbamate
PubChem CID103392833
Molecular FormulaC19H21FN2O2
Molecular Weight328.39 g/mol
Exact Mass328.16
IUPAC Namebenzyl N-[3-(4-fluoro-2-methylanilino)cyclobutyl]carbamate
SMILESCc1cc(F)ccc1NC1CC(NC(=O)OCc2ccccc2)C1
InChIInChI=1S/C19H21FN2O2/c1-13-9-15(20)7-8-18(13)21-16-10-17(11-16)22-19(23)24-12-14-5-3-2-4-6-14/h2-9,16-17,21H,10-12H2,1H3,(H,22,23)
InChIKeyCRHGZYVSELSTHX-UHFFFAOYSA-N
XLogP4.00
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.39
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze benzyl N-[3-(4-fluoro-2-methylanilino)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

benzyl N-[3-(3-hydroxy-2,4-dimethylanilino)cyclobutyl]carbamate
CID 103393149
benzyl N-[3-(2,3,5-trifluoroanilino)cyclobutyl]carbamate
CID 103393393
benzyl N-[3-(2-methoxyanilino)cyclobutyl]carbamate
CID 103392742
benzyl N-[3,5-bis(phenylmethoxycarbonylamino)cyclohexyl]carbamate
CID 102080822
4-fluoro-3-[[3-(phenylmethoxycarbonylamino)cyclobutyl]amino]benzoic acid
CID 103393121
benzyl N-[3-[(3-fluorophenyl)methylamino]cyclobutyl]carbamate
CID 103392944
benzyl N-[3-(2,5-dimethoxyanilino)cyclobutyl]carbamate
CID 103392778
benzyl N-[3-(2-bromo-4,6-dimethylanilino)cyclobutyl]carbamate
CID 103393636
benzyl N-[3-[[(1R)-1-(4-fluorophenyl)ethyl]amino]cyclobutyl]carbamate
CID 103393591
benzyl N-[3-[(6-methyl-3-pyridinyl)amino]cyclobutyl]carbamate
CID 103393638
benzyl N-[3-(5-chloro-2-methoxyanilino)cyclobutyl]carbamate
CID 103392787
benzyl N-[3-[2-(4-fluorophenyl)ethylamino]cyclobutyl]carbamate
CID 103392750

Frequently Asked Questions

What is the IUPAC name of benzyl N-[3-(4-fluoro-2-methylanilino)cyclobutyl]carbamate?
The IUPAC name of benzyl N-[3-(4-fluoro-2-methylanilino)cyclobutyl]carbamate (CID 103392833) is benzyl N-[3-(4-fluoro-2-methylanilino)cyclobutyl]carbamate.
What is the SMILES notation for benzyl N-[3-(4-fluoro-2-methylanilino)cyclobutyl]carbamate?
The canonical SMILES for benzyl N-[3-(4-fluoro-2-methylanilino)cyclobutyl]carbamate is Cc1cc(F)ccc1NC1CC(NC(=O)OCc2ccccc2)C1.
What is the InChIKey of benzyl N-[3-(4-fluoro-2-methylanilino)cyclobutyl]carbamate?
The InChIKey is CRHGZYVSELSTHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O2/c1-13-9-15(20)7-8-18(13)21-16-10-17(11-16)22-19(23)24-12-14-5-3-2-4-6-14/h2-9,16-17,21H,10-12H2,1H3,(H,22,23).
What are the key properties of benzyl N-[3-(4-fluoro-2-methylanilino)cyclobutyl]carbamate?
benzyl N-[3-(4-fluoro-2-methylanilino)cyclobutyl]carbamate has a molecular weight of 328.39 g/mol, XLogP of 4.00, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[3-(4-fluoro-2-methylanilino)cyclobutyl]carbamate is sourced from PubChem (CID 103392833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).