benzyl N-(4-bromo-2-methylphenyl)carbamate

C15H14BrNO2 — CID 53217034

IUPACbenzyl N-(4-bromo-2-methylphenyl)carbamate
SMILESCc1cc(Br)ccc1NC(=O)OCc1ccccc1
InChIInChI=1S/C15H14BrNO2/c1-11-9-13(16)7-8-14(11)17-15(18)19-10-12-5-3-2-4-6-12/h2-9H,10H2,1H3,(H,17,18)
InChIKeyRZJDMLNYSWZIGV-UHFFFAOYSA-N
MW320.19 g/mol
LogP4.51
Rot. Bonds3

About benzyl N-(4-bromo-2-methylphenyl)carbamate

benzyl N-(4-bromo-2-methylphenyl)carbamate (PubChem CID 53217034) has the molecular formula C15H14BrNO2 and a molecular weight of 320.19 g/mol. Its IUPAC name is benzyl N-(4-bromo-2-methylphenyl)carbamate.

Molecular Properties

Compound Namebenzyl N-(4-bromo-2-methylphenyl)carbamate
PubChem CID53217034
Molecular FormulaC15H14BrNO2
Molecular Weight320.19 g/mol
Exact Mass319.02
IUPAC Namebenzyl N-(4-bromo-2-methylphenyl)carbamate
SMILESCc1cc(Br)ccc1NC(=O)OCc1ccccc1
InChIInChI=1S/C15H14BrNO2/c1-11-9-13(16)7-8-14(11)17-15(18)19-10-12-5-3-2-4-6-12/h2-9H,10H2,1H3,(H,17,18)
InChIKeyRZJDMLNYSWZIGV-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-(5-bromo-2-fluorophenyl)carbamate
CID 58686891
benzyl N-(2-bromo-5-methylphenyl)carbamate
CID 130581055
benzyl N-(2-bromophenyl)carbamate
CID 4935706
benzyl 4-bromo-2-methylbenzoate
CID 22568915
benzyl N-(3-methyl-4-pyridinyl)carbamate
CID 130580947
benzyl N-(5-bromo-2-fluorophenyl)carbamate;5-bromo-2-fluorobenzoic acid
CID 158287877
[2-(4-bromo-2-methylanilino)-2-oxoethyl] 2-[(2-phenylacetyl)amino]benzoate
CID 30684694
benzyl N-(2-ethyl-5-methylphenyl)carbamate
CID 174585145
2-benzylsulfanyl-N-(4-bromo-2-methylphenyl)acetamide
CID 4105609
benzyl N-[4-(4-bromo-2-methylphenyl)but-3-ynyl]carbamate
CID 170463586
benzyl N-(4-bromo-2,6-dimethoxyphenyl)carbamate
CID 22933103
3-[benzyl(methyl)amino]-N-(4-bromo-2-methylphenyl)propanamide
CID 109020660

Frequently Asked Questions

What is the IUPAC name of benzyl N-(4-bromo-2-methylphenyl)carbamate?
The IUPAC name of benzyl N-(4-bromo-2-methylphenyl)carbamate (CID 53217034) is benzyl N-(4-bromo-2-methylphenyl)carbamate.
What is the SMILES notation for benzyl N-(4-bromo-2-methylphenyl)carbamate?
The canonical SMILES for benzyl N-(4-bromo-2-methylphenyl)carbamate is Cc1cc(Br)ccc1NC(=O)OCc1ccccc1.
What is the InChIKey of benzyl N-(4-bromo-2-methylphenyl)carbamate?
The InChIKey is RZJDMLNYSWZIGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrNO2/c1-11-9-13(16)7-8-14(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-(4-bromo-2-methylphenyl)carbamate?
benzyl N-(4-bromo-2-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-(4-bromo-2-methylphenyl)carbamate is sourced from PubChem (CID 53217034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).