benzyl N-(2-bromophenyl)carbamate

C14H12BrNO2 — CID 4935706

IUPACbenzyl N-(2-bromophenyl)carbamate
SMILESO=C(Nc1ccccc1Br)OCc1ccccc1
InChIInChI=1S/C14H12BrNO2/c15-12-8-4-5-9-13(12)16-14(17)18-10-11-6-2-1-3-7-11/h1-9H,10H2,(H,16,17)
InChIKeyCSKIQHWKJNGJDU-UHFFFAOYSA-N
MW306.16 g/mol
LogP4.20
Rot. Bonds3

About benzyl N-(2-bromophenyl)carbamate

benzyl N-(2-bromophenyl)carbamate (PubChem CID 4935706) has the molecular formula C14H12BrNO2 and a molecular weight of 306.16 g/mol. Its IUPAC name is benzyl N-(2-bromophenyl)carbamate.

Molecular Properties

Compound Namebenzyl N-(2-bromophenyl)carbamate
PubChem CID4935706
Molecular FormulaC14H12BrNO2
Molecular Weight306.16 g/mol
Exact Mass305.01
IUPAC Namebenzyl N-(2-bromophenyl)carbamate
SMILESO=C(Nc1ccccc1Br)OCc1ccccc1
InChIInChI=1S/C14H12BrNO2/c15-12-8-4-5-9-13(12)16-14(17)18-10-11-6-2-1-3-7-11/h1-9H,10H2,(H,16,17)
InChIKeyCSKIQHWKJNGJDU-UHFFFAOYSA-N
XLogP4.20
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.16
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

benzyl N-(2-bromo-5-methylphenyl)carbamate
CID 130581055
benzyl N-(2-iodophenyl)carbamate
CID 10959121
benzyl N-[2-(2-aminophenyl)phenyl]carbamate
CID 68787776
benzyl N-(2-fluoro-3-hydroxyphenyl)carbamate
CID 125116618
benzyl N-(4-bromo-2-methylphenyl)carbamate
CID 53217034
benzyl N-(5-bromo-2-fluorophenyl)carbamate
CID 58686891
benzyl N-[2-(1-aminocyclopropyl)phenyl]carbamate
CID 141316548
benzyl N-(2-methyl-3-pyridinyl)carbamate
CID 10514300
benzyl N-[(1S)-1-(2-bromophenyl)ethyl]carbamate
CID 130164899
benzyl N-(5-bromo-2-chloro-3-pyridinyl)carbamate
CID 130581136
benzyl N-(5,6,7,8-tetrahydronaphthalen-1-yl)carbamate
CID 91450815
(2-bromophenyl)carbamic acid
CID 15021878

Frequently Asked Questions

What is the IUPAC name of benzyl N-(2-bromophenyl)carbamate?
The IUPAC name of benzyl N-(2-bromophenyl)carbamate (CID 4935706) is benzyl N-(2-bromophenyl)carbamate.
What is the SMILES notation for benzyl N-(2-bromophenyl)carbamate?
The canonical SMILES for benzyl N-(2-bromophenyl)carbamate is O=C(Nc1ccccc1Br)OCc1ccccc1.
What is the InChIKey of benzyl N-(2-bromophenyl)carbamate?
The InChIKey is CSKIQHWKJNGJDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrNO2/c15-12-8-4-5-9-13(12)16-14(17)18-10-11-6-2-1-3-7-11/h1-9H,10H2,(H,16,17).
What are the key properties of benzyl N-(2-bromophenyl)carbamate?
benzyl N-(2-bromophenyl)carbamate has a molecular weight of 306.16 g/mol, XLogP of 4.20, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-(2-bromophenyl)carbamate is sourced from PubChem (CID 4935706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).