tert-butyl N-[1-[[(2-chloro-6-fluorophenyl)methylamino]methyl]cyclobutyl]carbamate

C17H24ClFN2O2 — CID 107243208

IUPACtert-butyl N-[1-[[(2-chloro-6-fluorophenyl)methylamino]methyl]cyclobutyl]carbamate
SMILESCC(C)(C)OC(=O)NC1(CNCc2c(F)cccc2Cl)CCC1
InChIInChI=1S/C17H24ClFN2O2/c1-16(2,3)23-15(22)21-17(8-5-9-17)11-20-10-12-13(18)6-4-7-14(12)19/h4,6-7,20H,5,8-11H2,1-3H3,(H,21,22)
InChIKeyUDPVOUNKUIRIPI-UHFFFAOYSA-N
MW342.84 g/mol
LogP4.02
Rot. Bonds5

About tert-butyl N-[1-[[(2-chloro-6-fluorophenyl)methylamino]methyl]cyclobutyl]carbamate

tert-butyl N-[1-[[(2-chloro-6-fluorophenyl)methylamino]methyl]cyclobutyl]carbamate (PubChem CID 107243208) has the molecular formula C17H24ClFN2O2 and a molecular weight of 342.84 g/mol. Its IUPAC name is tert-butyl N-[1-[[(2-chloro-6-fluorophenyl)methylamino]methyl]cyclobutyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-[[(2-chloro-6-fluorophenyl)methylamino]methyl]cyclobutyl]carbamate
PubChem CID107243208
Molecular FormulaC17H24ClFN2O2
Molecular Weight342.84 g/mol
Exact Mass342.15
IUPAC Nametert-butyl N-[1-[[(2-chloro-6-fluorophenyl)methylamino]methyl]cyclobutyl]carbamate
SMILESCC(C)(C)OC(=O)NC1(CNCc2c(F)cccc2Cl)CCC1
InChIInChI=1S/C17H24ClFN2O2/c1-16(2,3)23-15(22)21-17(8-5-9-17)11-20-10-12-13(18)6-4-7-14(12)19/h4,6-7,20H,5,8-11H2,1-3H3,(H,21,22)
InChIKeyUDPVOUNKUIRIPI-UHFFFAOYSA-N
XLogP4.02
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.84
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[1-[[(2,6-dimethylphenyl)methylamino]methyl]cyclobutyl]carbamate
CID 107243378
tert-butyl N-[1-[[(2,4-dichlorophenyl)methylamino]methyl]cyclobutyl]carbamate
CID 107243334
tert-butyl N-[1-[[(5-chloro-1,3-thiazol-2-yl)methylamino]methyl]cyclobutyl]carbamate
CID 104879622
tert-butyl N-[1-[[(3,4-dimethylphenyl)methylamino]methyl]cyclobutyl]carbamate
CID 107243328
tert-butyl N-[1-[(2-phenylethylamino)methyl]cyclobutyl]carbamate
CID 104872135
5-[[[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]methylamino]methyl]furan-2-carboxylic acid
CID 107243225
tert-butyl N-[1-[[(3-bromothiophen-2-yl)methylamino]methyl]cyclobutyl]carbamate
CID 104756818
N-[(2-chloro-6-fluorophenyl)methyl]-1-(methoxymethyl)cyclobutane-1-carboxamide
CID 74234343
1-(2-chloro-6-fluorophenyl)-N-[(1-methylsulfanylcyclopentyl)methyl]methanamine
CID 114115807
(2R)-3-(2-chloro-6-fluorophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 165350711
N-[1-(aminomethyl)cyclopentyl]-2-(2-chloro-6-fluorophenyl)acetamide
CID 63887000
tert-butyl 4-[(2-chloro-6-fluorophenyl)methoxy]-4-ethylpiperidine-1-carboxylate
CID 113351223

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-[[(2-chloro-6-fluorophenyl)methylamino]methyl]cyclobutyl]carbamate?
The IUPAC name of tert-butyl N-[1-[[(2-chloro-6-fluorophenyl)methylamino]methyl]cyclobutyl]carbamate (CID 107243208) is tert-butyl N-[1-[[(2-chloro-6-fluorophenyl)methylamino]methyl]cyclobutyl]carbamate.
What is the SMILES notation for tert-butyl N-[1-[[(2-chloro-6-fluorophenyl)methylamino]methyl]cyclobutyl]carbamate?
The canonical SMILES for tert-butyl N-[1-[[(2-chloro-6-fluorophenyl)methylamino]methyl]cyclobutyl]carbamate is CC(C)(C)OC(=O)NC1(CNCc2c(F)cccc2Cl)CCC1.
What is the InChIKey of tert-butyl N-[1-[[(2-chloro-6-fluorophenyl)methylamino]methyl]cyclobutyl]carbamate?
The InChIKey is UDPVOUNKUIRIPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClFN2O2/c1-16(2,3)23-15(22)21-17(8-5-9-17)11-20-10-12-13(18)6-4-7-14(12)19/h4,6-7,20H,5,8-11H2,1-3H3,(H,21,22).
What are the key properties of tert-butyl N-[1-[[(2-chloro-6-fluorophenyl)methylamino]methyl]cyclobutyl]carbamate?
tert-butyl N-[1-[[(2-chloro-6-fluorophenyl)methylamino]methyl]cyclobutyl]carbamate has a molecular weight of 342.84 g/mol, XLogP of 4.02, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-[[(2-chloro-6-fluorophenyl)methylamino]methyl]cyclobutyl]carbamate is sourced from PubChem (CID 107243208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).