tert-butyl N-(4-chlorophenyl)-N-phenylcarbamate

C17H18ClNO2 — CID 91516557

IUPACtert-butyl N-(4-chlorophenyl)-N-phenylcarbamate
SMILESCC(C)(C)OC(=O)N(c1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C17H18ClNO2/c1-17(2,3)21-16(20)19(14-7-5-4-6-8-14)15-11-9-13(18)10-12-15/h4-12H,1-3H3
InChIKeyDGBRWTFBIRYQDT-UHFFFAOYSA-N
MW303.79 g/mol
LogP5.41
Rot. Bonds2

About tert-butyl N-(4-chlorophenyl)-N-phenylcarbamate

tert-butyl N-(4-chlorophenyl)-N-phenylcarbamate (PubChem CID 91516557) has the molecular formula C17H18ClNO2 and a molecular weight of 303.79 g/mol. Its IUPAC name is tert-butyl N-(4-chlorophenyl)-N-phenylcarbamate.

Molecular Properties

Compound Nametert-butyl N-(4-chlorophenyl)-N-phenylcarbamate
PubChem CID91516557
Molecular FormulaC17H18ClNO2
Molecular Weight303.79 g/mol
Exact Mass303.10
IUPAC Nametert-butyl N-(4-chlorophenyl)-N-phenylcarbamate
SMILESCC(C)(C)OC(=O)N(c1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C17H18ClNO2/c1-17(2,3)21-16(20)19(14-7-5-4-6-8-14)15-11-9-13(18)10-12-15/h4-12H,1-3H3
InChIKeyDGBRWTFBIRYQDT-UHFFFAOYSA-N
XLogP5.41
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500303.79
LogP ≤ 55.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(4-chlorophenyl)-N-phenylcarbamate?
The IUPAC name of tert-butyl N-(4-chlorophenyl)-N-phenylcarbamate (CID 91516557) is tert-butyl N-(4-chlorophenyl)-N-phenylcarbamate.
What is the SMILES notation for tert-butyl N-(4-chlorophenyl)-N-phenylcarbamate?
The canonical SMILES for tert-butyl N-(4-chlorophenyl)-N-phenylcarbamate is CC(C)(C)OC(=O)N(c1ccccc1)c1ccc(Cl)cc1.
What is the InChIKey of tert-butyl N-(4-chlorophenyl)-N-phenylcarbamate?
The InChIKey is DGBRWTFBIRYQDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClNO2/c1-17(2,3)21-16(20)19(14-7-5-4-6-8-14)15-11-9-13(18)10-12-15/h4-12H,1-3H3.
What are the key properties of tert-butyl N-(4-chlorophenyl)-N-phenylcarbamate?
tert-butyl N-(4-chlorophenyl)-N-phenylcarbamate has a molecular weight of 303.79 g/mol, XLogP of 5.41, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(4-chlorophenyl)-N-phenylcarbamate is sourced from PubChem (CID 91516557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).