benzyl N-[2-(2-bromophenyl)ethyl]carbamate

C16H16BrNO2 — CID 66717951

IUPACbenzyl N-[2-(2-bromophenyl)ethyl]carbamate
SMILESO=C(NCCc1ccccc1Br)OCc1ccccc1
InChIInChI=1S/C16H16BrNO2/c17-15-9-5-4-8-14(15)10-11-18-16(19)20-12-13-6-2-1-3-7-13/h1-9H,10-12H2,(H,18,19)
InChIKeyPPXDFUKSUXFMNY-UHFFFAOYSA-N
MW334.21 g/mol
LogP3.92
Rot. Bonds5

About benzyl N-[2-(2-bromophenyl)ethyl]carbamate

benzyl N-[2-(2-bromophenyl)ethyl]carbamate (PubChem CID 66717951) has the molecular formula C16H16BrNO2 and a molecular weight of 334.21 g/mol. Its IUPAC name is benzyl N-[2-(2-bromophenyl)ethyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[2-(2-bromophenyl)ethyl]carbamate
PubChem CID66717951
Molecular FormulaC16H16BrNO2
Molecular Weight334.21 g/mol
Exact Mass333.04
IUPAC Namebenzyl N-[2-(2-bromophenyl)ethyl]carbamate
SMILESO=C(NCCc1ccccc1Br)OCc1ccccc1
InChIInChI=1S/C16H16BrNO2/c17-15-9-5-4-8-14(15)10-11-18-16(19)20-12-13-6-2-1-3-7-13/h1-9H,10-12H2,(H,18,19)
InChIKeyPPXDFUKSUXFMNY-UHFFFAOYSA-N
XLogP3.92
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.21
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of benzyl N-[2-(2-bromophenyl)ethyl]carbamate?
The IUPAC name of benzyl N-[2-(2-bromophenyl)ethyl]carbamate (CID 66717951) is benzyl N-[2-(2-bromophenyl)ethyl]carbamate.
What is the SMILES notation for benzyl N-[2-(2-bromophenyl)ethyl]carbamate?
The canonical SMILES for benzyl N-[2-(2-bromophenyl)ethyl]carbamate is O=C(NCCc1ccccc1Br)OCc1ccccc1.
What is the InChIKey of benzyl N-[2-(2-bromophenyl)ethyl]carbamate?
The InChIKey is PPXDFUKSUXFMNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrNO2/c17-15-9-5-4-8-14(15)10-11-18-16(19)20-12-13-6-2-1-3-7-13/h1-9H,10-12H2,(H,18,19).
What are the key properties of benzyl N-[2-(2-bromophenyl)ethyl]carbamate?
benzyl N-[2-(2-bromophenyl)ethyl]carbamate has a molecular weight of 334.21 g/mol, XLogP of 3.92, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[2-(2-bromophenyl)ethyl]carbamate is sourced from PubChem (CID 66717951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).