tert-butyl N-[2-amino-1-(2,4-difluoro-3-phenoxyphenyl)ethyl]carbamate

C19H22F2N2O3 — CID 131741216

IUPACtert-butyl N-[2-amino-1-(2,4-difluoro-3-phenoxyphenyl)ethyl]carbamate
SMILESCC(C)(C)OC(=O)NC(CN)c1ccc(F)c(Oc2ccccc2)c1F
InChIInChI=1S/C19H22F2N2O3/c1-19(2,3)26-18(24)23-15(11-22)13-9-10-14(20)17(16(13)21)25-12-7-5-4-6-8-12/h4-10,15H,11,22H2,1-3H3,(H,23,24)
InChIKeyHNAMWRPNUHEXAR-UHFFFAOYSA-N
MW364.39 g/mol
LogP4.28
Rot. Bonds5

About tert-butyl N-[2-amino-1-(2,4-difluoro-3-phenoxyphenyl)ethyl]carbamate

tert-butyl N-[2-amino-1-(2,4-difluoro-3-phenoxyphenyl)ethyl]carbamate (PubChem CID 131741216) has the molecular formula C19H22F2N2O3 and a molecular weight of 364.39 g/mol. Its IUPAC name is tert-butyl N-[2-amino-1-(2,4-difluoro-3-phenoxyphenyl)ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-amino-1-(2,4-difluoro-3-phenoxyphenyl)ethyl]carbamate
PubChem CID131741216
Molecular FormulaC19H22F2N2O3
Molecular Weight364.39 g/mol
Exact Mass364.16
IUPAC Nametert-butyl N-[2-amino-1-(2,4-difluoro-3-phenoxyphenyl)ethyl]carbamate
SMILESCC(C)(C)OC(=O)NC(CN)c1ccc(F)c(Oc2ccccc2)c1F
InChIInChI=1S/C19H22F2N2O3/c1-19(2,3)26-18(24)23-15(11-22)13-9-10-14(20)17(16(13)21)25-12-7-5-4-6-8-12/h4-10,15H,11,22H2,1-3H3,(H,23,24)
InChIKeyHNAMWRPNUHEXAR-UHFFFAOYSA-N
XLogP4.28
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.39
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-amino-1-(2,4-difluoro-3-phenoxyphenyl)ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-amino-1-(2,4-difluoro-3-phenoxyphenyl)ethyl]carbamate (CID 131741216) is tert-butyl N-[2-amino-1-(2,4-difluoro-3-phenoxyphenyl)ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-amino-1-(2,4-difluoro-3-phenoxyphenyl)ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-amino-1-(2,4-difluoro-3-phenoxyphenyl)ethyl]carbamate is CC(C)(C)OC(=O)NC(CN)c1ccc(F)c(Oc2ccccc2)c1F.
What is the InChIKey of tert-butyl N-[2-amino-1-(2,4-difluoro-3-phenoxyphenyl)ethyl]carbamate?
The InChIKey is HNAMWRPNUHEXAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F2N2O3/c1-19(2,3)26-18(24)23-15(11-22)13-9-10-14(20)17(16(13)21)25-12-7-5-4-6-8-12/h4-10,15H,11,22H2,1-3H3,(H,23,24).
What are the key properties of tert-butyl N-[2-amino-1-(2,4-difluoro-3-phenoxyphenyl)ethyl]carbamate?
tert-butyl N-[2-amino-1-(2,4-difluoro-3-phenoxyphenyl)ethyl]carbamate has a molecular weight of 364.39 g/mol, XLogP of 4.28, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-amino-1-(2,4-difluoro-3-phenoxyphenyl)ethyl]carbamate is sourced from PubChem (CID 131741216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).