tert-butyl N-[4-[2-(4-chlorophenyl)ethylcarbamoyl]phenyl]carbamate

C20H23ClN2O3 — CID 9268246

IUPACtert-butyl N-[4-[2-(4-chlorophenyl)ethylcarbamoyl]phenyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1ccc(C(=O)NCCc2ccc(Cl)cc2)cc1
InChIInChI=1S/C20H23ClN2O3/c1-20(2,3)26-19(25)23-17-10-6-15(7-11-17)18(24)22-13-12-14-4-8-16(21)9-5-14/h4-11H,12-13H2,1-3H3,(H,22,24)(H,23,25)
InChIKeyGDALNNGHCHQTPN-UHFFFAOYSA-N
MW374.87 g/mol
LogP4.66
Rot. Bonds5

About tert-butyl N-[4-[2-(4-chlorophenyl)ethylcarbamoyl]phenyl]carbamate

tert-butyl N-[4-[2-(4-chlorophenyl)ethylcarbamoyl]phenyl]carbamate (PubChem CID 9268246) has the molecular formula C20H23ClN2O3 and a molecular weight of 374.87 g/mol. Its IUPAC name is tert-butyl N-[4-[2-(4-chlorophenyl)ethylcarbamoyl]phenyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-[2-(4-chlorophenyl)ethylcarbamoyl]phenyl]carbamate
PubChem CID9268246
Molecular FormulaC20H23ClN2O3
Molecular Weight374.87 g/mol
Exact Mass374.14
IUPAC Nametert-butyl N-[4-[2-(4-chlorophenyl)ethylcarbamoyl]phenyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1ccc(C(=O)NCCc2ccc(Cl)cc2)cc1
InChIInChI=1S/C20H23ClN2O3/c1-20(2,3)26-19(25)23-17-10-6-15(7-11-17)18(24)22-13-12-14-4-8-16(21)9-5-14/h4-11H,12-13H2,1-3H3,(H,22,24)(H,23,25)
InChIKeyGDALNNGHCHQTPN-UHFFFAOYSA-N
XLogP4.66
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.87
LogP ≤ 54.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[4-[2-[4-(difluoromethoxy)phenyl]ethylcarbamoyl]phenyl]carbamate
CID 55396791
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CID 55736690
tert-butyl N-[2-[2-(4-chlorophenyl)ethylcarbamoylamino]ethyl]carbamate
CID 108864604
tert-butyl N-[4-(2-methylsulfanylethylcarbamoyl)phenyl]carbamate
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tert-butyl N-[4-[2-(1H-1,2,4-triazol-5-yl)ethylcarbamoyl]phenyl]carbamate
CID 125130901
tert-butyl N-[4-(2-thiophen-2-ylethylcarbamoyl)phenyl]carbamate
CID 27770407
tert-butyl N-[4-[(4-chlorophenyl)carbamoylamino]phenyl]carbamate
CID 138469738
tert-butyl N-[4-(benzylcarbamoyl)phenyl]carbamate
CID 9041136
N-[2-(4-chlorophenyl)ethyl]-4-(methanesulfonamido)benzamide
CID 42064223
tert-butyl N-[4-[2-(4-fluorophenyl)ethylamino]phenyl]carbamate
CID 112983477
tert-butyl N-[2-[4-[(2,4-dichlorobenzoyl)carbamothioylamino]phenyl]ethyl]carbamate
CID 139669982
tert-butyl N-[4-[2-(4-chlorophenyl)ethylamino]-4-oxobutyl]carbamate
CID 9211021

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-[2-(4-chlorophenyl)ethylcarbamoyl]phenyl]carbamate?
The IUPAC name of tert-butyl N-[4-[2-(4-chlorophenyl)ethylcarbamoyl]phenyl]carbamate (CID 9268246) is tert-butyl N-[4-[2-(4-chlorophenyl)ethylcarbamoyl]phenyl]carbamate.
What is the SMILES notation for tert-butyl N-[4-[2-(4-chlorophenyl)ethylcarbamoyl]phenyl]carbamate?
The canonical SMILES for tert-butyl N-[4-[2-(4-chlorophenyl)ethylcarbamoyl]phenyl]carbamate is CC(C)(C)OC(=O)Nc1ccc(C(=O)NCCc2ccc(Cl)cc2)cc1.
What is the InChIKey of tert-butyl N-[4-[2-(4-chlorophenyl)ethylcarbamoyl]phenyl]carbamate?
The InChIKey is GDALNNGHCHQTPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN2O3/c1-20(2,3)26-19(25)23-17-10-6-15(7-11-17)18(24)22-13-12-14-4-8-16(21)9-5-14/h4-11H,12-13H2,1-3H3,(H,22,24)(H,23,25).
What are the key properties of tert-butyl N-[4-[2-(4-chlorophenyl)ethylcarbamoyl]phenyl]carbamate?
tert-butyl N-[4-[2-(4-chlorophenyl)ethylcarbamoyl]phenyl]carbamate has a molecular weight of 374.87 g/mol, XLogP of 4.66, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-[2-(4-chlorophenyl)ethylcarbamoyl]phenyl]carbamate is sourced from PubChem (CID 9268246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).