methyl N-(2-amino-2-methylpropyl)-N-[1-(5-chloro-2-fluorophenyl)cyclobutyl]carbamate

C16H22ClFN2O2 — CID 163218525

IUPACmethyl N-(2-amino-2-methylpropyl)-N-[1-(5-chloro-2-fluorophenyl)cyclobutyl]carbamate
SMILESCOC(=O)N(CC(C)(C)N)C1(c2cc(Cl)ccc2F)CCC1
InChIInChI=1S/C16H22ClFN2O2/c1-15(2,19)10-20(14(21)22-3)16(7-4-8-16)12-9-11(17)5-6-13(12)18/h5-6,9H,4,7-8,10,19H2,1-3H3
InChIKeyROMNIGJOCNVGTC-UHFFFAOYSA-N
MW328.82 g/mol
LogP3.66
Rot. Bonds4

About methyl N-(2-amino-2-methylpropyl)-N-[1-(5-chloro-2-fluorophenyl)cyclobutyl]carbamate

methyl N-(2-amino-2-methylpropyl)-N-[1-(5-chloro-2-fluorophenyl)cyclobutyl]carbamate (PubChem CID 163218525) has the molecular formula C16H22ClFN2O2 and a molecular weight of 328.82 g/mol. Its IUPAC name is methyl N-(2-amino-2-methylpropyl)-N-[1-(5-chloro-2-fluorophenyl)cyclobutyl]carbamate.

Molecular Properties

Compound Namemethyl N-(2-amino-2-methylpropyl)-N-[1-(5-chloro-2-fluorophenyl)cyclobutyl]carbamate
PubChem CID163218525
Molecular FormulaC16H22ClFN2O2
Molecular Weight328.82 g/mol
Exact Mass328.14
IUPAC Namemethyl N-(2-amino-2-methylpropyl)-N-[1-(5-chloro-2-fluorophenyl)cyclobutyl]carbamate
SMILESCOC(=O)N(CC(C)(C)N)C1(c2cc(Cl)ccc2F)CCC1
InChIInChI=1S/C16H22ClFN2O2/c1-15(2,19)10-20(14(21)22-3)16(7-4-8-16)12-9-11(17)5-6-13(12)18/h5-6,9H,4,7-8,10,19H2,1-3H3
InChIKeyROMNIGJOCNVGTC-UHFFFAOYSA-N
XLogP3.66
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.82
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl N-(2-amino-2-methylpropyl)-N-{1-[3-(trifluoromethyl)phenyl]cyclobutyl}carbamate
CID 163218519
Methyl N-(2-amino-2-methylpropyl)-N-{1-[3-fluoro-5-(trifluoromethyl)phenyl]cyclobutyl}carbamate
CID 163218532
Methyl N-[1-(5-chloro-2-fluorophenyl)cyclobutyl]-N-{[(2S)-pyrrolidin-2-yl]methyl}carbamate
CID 163218540
US20240034717, Example 31.20
CID 163218567
Methyl 4-[(3-chloro-2-fluorophenyl)methyl]-1-piperazinecarboxylate
CID 60170299
N-[2-(3-chloro-2-fluorophenyl)propan-2-yl]-2-(dimethylamino)acetamide
CID 99826639
ethyl (3S)-3-[[1-(3-chlorophenyl)cyclopropyl]amino]pyrrolidine-1-carboxylate
CID 125441404
methyl 3-{4-(5-chloro-2-fluorophenyl)-1-[(dimethylamino)carbonyl]-2-phenyl-2,5-dihydro-1H-pyrrol-2-yl}propylcarbamate
CID 10411909
methyl N-[3-[3-(5-chloro-2-fluorophenyl)-1-(diethylcarbamoyl)-5-phenyl-2H-pyrrol-5-yl]propyl]carbamate
CID 23614745
(5S)-3-(5-chloro-2-fluorophenyl)-5-methyl-5-phenyl-2H-pyrrole-1-carboxamide
CID 58641344
Tert-butyl 3-[[1-(3-chloro-4-fluorophenyl)cyclohexyl]amino]pyrrolidine-1-carboxylate
CID 66657160
tert-butyl (3S)-3-[[1-(3-chloro-4-fluorophenyl)cyclohexyl]amino]pyrrolidine-1-carboxylate
CID 66657228

Frequently Asked Questions

What is the IUPAC name of methyl N-(2-amino-2-methylpropyl)-N-[1-(5-chloro-2-fluorophenyl)cyclobutyl]carbamate?
The IUPAC name of methyl N-(2-amino-2-methylpropyl)-N-[1-(5-chloro-2-fluorophenyl)cyclobutyl]carbamate (CID 163218525) is methyl N-(2-amino-2-methylpropyl)-N-[1-(5-chloro-2-fluorophenyl)cyclobutyl]carbamate.
What is the SMILES notation for methyl N-(2-amino-2-methylpropyl)-N-[1-(5-chloro-2-fluorophenyl)cyclobutyl]carbamate?
The canonical SMILES for methyl N-(2-amino-2-methylpropyl)-N-[1-(5-chloro-2-fluorophenyl)cyclobutyl]carbamate is COC(=O)N(CC(C)(C)N)C1(c2cc(Cl)ccc2F)CCC1.
What is the InChIKey of methyl N-(2-amino-2-methylpropyl)-N-[1-(5-chloro-2-fluorophenyl)cyclobutyl]carbamate?
The InChIKey is ROMNIGJOCNVGTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClFN2O2/c1-15(2,19)10-20(14(21)22-3)16(7-4-8-16)12-9-11(17)5-6-13(12)18/h5-6,9H,4,7-8,10,19H2,1-3H3.
What are the key properties of methyl N-(2-amino-2-methylpropyl)-N-[1-(5-chloro-2-fluorophenyl)cyclobutyl]carbamate?
methyl N-(2-amino-2-methylpropyl)-N-[1-(5-chloro-2-fluorophenyl)cyclobutyl]carbamate has a molecular weight of 328.82 g/mol, XLogP of 3.66, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-(2-amino-2-methylpropyl)-N-[1-(5-chloro-2-fluorophenyl)cyclobutyl]carbamate is sourced from PubChem (CID 163218525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).