benzyl N-(2-bromo-5-methylphenyl)carbamate

C15H14BrNO2 — CID 130581055

IUPACbenzyl N-(2-bromo-5-methylphenyl)carbamate
SMILESCc1ccc(Br)c(NC(=O)OCc2ccccc2)c1
InChIInChI=1S/C15H14BrNO2/c1-11-7-8-13(16)14(9-11)17-15(18)19-10-12-5-3-2-4-6-12/h2-9H,10H2,1H3,(H,17,18)
InChIKeyFJDXBYCOUDCYIE-UHFFFAOYSA-N
MW320.19 g/mol
LogP4.51
Rot. Bonds3

About benzyl N-(2-bromo-5-methylphenyl)carbamate

benzyl N-(2-bromo-5-methylphenyl)carbamate (PubChem CID 130581055) has the molecular formula C15H14BrNO2 and a molecular weight of 320.19 g/mol. Its IUPAC name is benzyl N-(2-bromo-5-methylphenyl)carbamate.

Molecular Properties

Compound Namebenzyl N-(2-bromo-5-methylphenyl)carbamate
PubChem CID130581055
Molecular FormulaC15H14BrNO2
Molecular Weight320.19 g/mol
Exact Mass319.02
IUPAC Namebenzyl N-(2-bromo-5-methylphenyl)carbamate
SMILESCc1ccc(Br)c(NC(=O)OCc2ccccc2)c1
InChIInChI=1S/C15H14BrNO2/c1-11-7-8-13(16)14(9-11)17-15(18)19-10-12-5-3-2-4-6-12/h2-9H,10H2,1H3,(H,17,18)
InChIKeyFJDXBYCOUDCYIE-UHFFFAOYSA-N
XLogP4.51
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.19
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

benzyl N-(2-bromophenyl)carbamate
CID 4935706
benzyl N-(2-ethyl-5-methylphenyl)carbamate
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benzyl N-(4-bromo-2-methylphenyl)carbamate
CID 53217034
(2-bromo-5-methylphenyl)urea
CID 82707313
benzyl N-[1-(2,5-dimethylanilino)-1-oxopropan-2-yl]carbamate
CID 23822673
benzyl N-(5-bromo-2-fluorophenyl)carbamate
CID 58686891
2-bromo-5-methyl-N-phenylmethoxybenzamide
CID 80962365
benzyl N-(2-methyl-3-pyridinyl)carbamate
CID 10514300
benzyl N-[4-(2,5-dibromoanilino)-4-oxobutyl]carbamate
CID 55874161
benzyl N-(2-iodophenyl)carbamate
CID 10959121
benzyl N-(4-methylphenyl)sulfanylcarbamate
CID 176654610
benzyl N-(4-bromo-2,6-dimethoxyphenyl)carbamate
CID 22933103

Frequently Asked Questions

What is the IUPAC name of benzyl N-(2-bromo-5-methylphenyl)carbamate?
The IUPAC name of benzyl N-(2-bromo-5-methylphenyl)carbamate (CID 130581055) is benzyl N-(2-bromo-5-methylphenyl)carbamate.
What is the SMILES notation for benzyl N-(2-bromo-5-methylphenyl)carbamate?
The canonical SMILES for benzyl N-(2-bromo-5-methylphenyl)carbamate is Cc1ccc(Br)c(NC(=O)OCc2ccccc2)c1.
What is the InChIKey of benzyl N-(2-bromo-5-methylphenyl)carbamate?
The InChIKey is FJDXBYCOUDCYIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrNO2/c1-11-7-8-13(16)14(9-11)17-15(18)19-10-12-5-3-2-4-6-12/h2-9H,10H2,1H3,(H,17,18).
What are the key properties of benzyl N-(2-bromo-5-methylphenyl)carbamate?
benzyl N-(2-bromo-5-methylphenyl)carbamate has a molecular weight of 320.19 g/mol, XLogP of 4.51, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-(2-bromo-5-methylphenyl)carbamate is sourced from PubChem (CID 130581055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).