tert-butyl N-[1-[(3-chloro-2-fluorophenyl)methylamino]-2-methylpropan-2-yl]carbamate

C16H24ClFN2O2 — CID 103761977

IUPACtert-butyl N-[1-[(3-chloro-2-fluorophenyl)methylamino]-2-methylpropan-2-yl]carbamate
SMILESCC(C)(CNCc1cccc(Cl)c1F)NC(=O)OC(C)(C)C
InChIInChI=1S/C16H24ClFN2O2/c1-15(2,3)22-14(21)20-16(4,5)10-19-9-11-7-6-8-12(17)13(11)18/h6-8,19H,9-10H2,1-5H3,(H,20,21)
InChIKeyRFZDDWUVSNTSBM-UHFFFAOYSA-N
MW330.83 g/mol
LogP3.87
Rot. Bonds5

About tert-butyl N-[1-[(3-chloro-2-fluorophenyl)methylamino]-2-methylpropan-2-yl]carbamate

tert-butyl N-[1-[(3-chloro-2-fluorophenyl)methylamino]-2-methylpropan-2-yl]carbamate (PubChem CID 103761977) has the molecular formula C16H24ClFN2O2 and a molecular weight of 330.83 g/mol. Its IUPAC name is tert-butyl N-[1-[(3-chloro-2-fluorophenyl)methylamino]-2-methylpropan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-[(3-chloro-2-fluorophenyl)methylamino]-2-methylpropan-2-yl]carbamate
PubChem CID103761977
Molecular FormulaC16H24ClFN2O2
Molecular Weight330.83 g/mol
Exact Mass330.15
IUPAC Nametert-butyl N-[1-[(3-chloro-2-fluorophenyl)methylamino]-2-methylpropan-2-yl]carbamate
SMILESCC(C)(CNCc1cccc(Cl)c1F)NC(=O)OC(C)(C)C
InChIInChI=1S/C16H24ClFN2O2/c1-15(2,3)22-14(21)20-16(4,5)10-19-9-11-7-6-8-12(17)13(11)18/h6-8,19H,9-10H2,1-5H3,(H,20,21)
InChIKeyRFZDDWUVSNTSBM-UHFFFAOYSA-N
XLogP3.87
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.83
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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tert-butyl N-[1-[(2,4-dichlorophenyl)methylamino]-2-methylpropan-2-yl]carbamate
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tert-butyl N-[1-[(2-aminophenyl)methylamino]-2-methylpropan-2-yl]carbamate
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tert-butyl 6-[(3-chloro-2-fluorophenyl)methylamino]-3-azabicyclo[3.1.0]hexane-3-carboxylate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-[(3-chloro-2-fluorophenyl)methylamino]-2-methylpropan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[1-[(3-chloro-2-fluorophenyl)methylamino]-2-methylpropan-2-yl]carbamate (CID 103761977) is tert-butyl N-[1-[(3-chloro-2-fluorophenyl)methylamino]-2-methylpropan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-[(3-chloro-2-fluorophenyl)methylamino]-2-methylpropan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-[(3-chloro-2-fluorophenyl)methylamino]-2-methylpropan-2-yl]carbamate is CC(C)(CNCc1cccc(Cl)c1F)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[1-[(3-chloro-2-fluorophenyl)methylamino]-2-methylpropan-2-yl]carbamate?
The InChIKey is RFZDDWUVSNTSBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClFN2O2/c1-15(2,3)22-14(21)20-16(4,5)10-19-9-11-7-6-8-12(17)13(11)18/h6-8,19H,9-10H2,1-5H3,(H,20,21).
What are the key properties of tert-butyl N-[1-[(3-chloro-2-fluorophenyl)methylamino]-2-methylpropan-2-yl]carbamate?
tert-butyl N-[1-[(3-chloro-2-fluorophenyl)methylamino]-2-methylpropan-2-yl]carbamate has a molecular weight of 330.83 g/mol, XLogP of 3.87, 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-[(3-chloro-2-fluorophenyl)methylamino]-2-methylpropan-2-yl]carbamate is sourced from PubChem (CID 103761977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).