benzyl N-[(4-bromophenyl)methyl]carbamate

C15H14BrNO2 — CID 25018359

IUPACbenzyl N-[(4-bromophenyl)methyl]carbamate
SMILESO=C(NCc1ccc(Br)cc1)OCc1ccccc1
InChIInChI=1S/C15H14BrNO2/c16-14-8-6-12(7-9-14)10-17-15(18)19-11-13-4-2-1-3-5-13/h1-9H,10-11H2,(H,17,18)
InChIKeyOKCHZXGMHUPTNU-UHFFFAOYSA-N
MW320.19 g/mol
LogP3.88
Rot. Bonds4

About benzyl N-[(4-bromophenyl)methyl]carbamate

benzyl N-[(4-bromophenyl)methyl]carbamate (PubChem CID 25018359) has the molecular formula C15H14BrNO2 and a molecular weight of 320.19 g/mol. Its IUPAC name is benzyl N-[(4-bromophenyl)methyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[(4-bromophenyl)methyl]carbamate
PubChem CID25018359
Molecular FormulaC15H14BrNO2
Molecular Weight320.19 g/mol
Exact Mass319.02
IUPAC Namebenzyl N-[(4-bromophenyl)methyl]carbamate
SMILESO=C(NCc1ccc(Br)cc1)OCc1ccccc1
InChIInChI=1S/C15H14BrNO2/c16-14-8-6-12(7-9-14)10-17-15(18)19-11-13-4-2-1-3-5-13/h1-9H,10-11H2,(H,17,18)
InChIKeyOKCHZXGMHUPTNU-UHFFFAOYSA-N
XLogP3.88
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.19
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of benzyl N-[(4-bromophenyl)methyl]carbamate?
The IUPAC name of benzyl N-[(4-bromophenyl)methyl]carbamate (CID 25018359) is benzyl N-[(4-bromophenyl)methyl]carbamate.
What is the SMILES notation for benzyl N-[(4-bromophenyl)methyl]carbamate?
The canonical SMILES for benzyl N-[(4-bromophenyl)methyl]carbamate is O=C(NCc1ccc(Br)cc1)OCc1ccccc1.
What is the InChIKey of benzyl N-[(4-bromophenyl)methyl]carbamate?
The InChIKey is OKCHZXGMHUPTNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrNO2/c16-14-8-6-12(7-9-14)10-17-15(18)19-11-13-4-2-1-3-5-13/h1-9H,10-11H2,(H,17,18).
What are the key properties of benzyl N-[(4-bromophenyl)methyl]carbamate?
benzyl N-[(4-bromophenyl)methyl]carbamate has a molecular weight of 320.19 g/mol, XLogP of 3.88, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[(4-bromophenyl)methyl]carbamate is sourced from PubChem (CID 25018359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).