methyl N-[2-(4-bromo-2-methylphenyl)phenyl]carbamate

C15H14BrNO2 — CID 67752029

IUPACmethyl N-[2-(4-bromo-2-methylphenyl)phenyl]carbamate
SMILESCOC(=O)Nc1ccccc1-c1ccc(Br)cc1C
InChIInChI=1S/C15H14BrNO2/c1-10-9-11(16)7-8-12(10)13-5-3-4-6-14(13)17-15(18)19-2/h3-9H,1-2H3,(H,17,18)
InChIKeyBQIIGLAIHAARLK-UHFFFAOYSA-N
MW320.19 g/mol
LogP4.60
Rot. Bonds2

About methyl N-[2-(4-bromo-2-methylphenyl)phenyl]carbamate

methyl N-[2-(4-bromo-2-methylphenyl)phenyl]carbamate (PubChem CID 67752029) has the molecular formula C15H14BrNO2 and a molecular weight of 320.19 g/mol. Its IUPAC name is methyl N-[2-(4-bromo-2-methylphenyl)phenyl]carbamate.

Molecular Properties

Compound Namemethyl N-[2-(4-bromo-2-methylphenyl)phenyl]carbamate
PubChem CID67752029
Molecular FormulaC15H14BrNO2
Molecular Weight320.19 g/mol
Exact Mass319.02
IUPAC Namemethyl N-[2-(4-bromo-2-methylphenyl)phenyl]carbamate
SMILESCOC(=O)Nc1ccccc1-c1ccc(Br)cc1C
InChIInChI=1S/C15H14BrNO2/c1-10-9-11(16)7-8-12(10)13-5-3-4-6-14(13)17-15(18)19-2/h3-9H,1-2H3,(H,17,18)
InChIKeyBQIIGLAIHAARLK-UHFFFAOYSA-N
XLogP4.60
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.19
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

tert-butyl N-[2-(2-methylphenyl)phenyl]carbamate
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methyl N-(5-bromo-2-iodophenyl)carbamate
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methyl N-[2-(cyclobutadienyl)phenyl]carbamate
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1-(4-bromo-2-methylphenyl)-3-(2-methylphenyl)urea
CID 108894214
tert-butyl 2-(4-bromo-2-methylphenyl)benzoate
CID 67943866
benzyl N-(4-bromo-2-methylphenyl)carbamate
CID 53217034
N-(4-bromo-2-methylphenyl)-N'-(2-bromophenyl)oxamide
CID 108531900
methyl N-(9,10-dioxoanthracen-1-yl)carbamate
CID 4161864
1-(4-bromo-2-methylphenyl)-2,3-dimethylbenzene
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methyl N-[2-[(E)-2-(2-methylphenyl)ethenyl]phenyl]carbamate
CID 20667567

Frequently Asked Questions

What is the IUPAC name of methyl N-[2-(4-bromo-2-methylphenyl)phenyl]carbamate?
The IUPAC name of methyl N-[2-(4-bromo-2-methylphenyl)phenyl]carbamate (CID 67752029) is methyl N-[2-(4-bromo-2-methylphenyl)phenyl]carbamate.
What is the SMILES notation for methyl N-[2-(4-bromo-2-methylphenyl)phenyl]carbamate?
The canonical SMILES for methyl N-[2-(4-bromo-2-methylphenyl)phenyl]carbamate is COC(=O)Nc1ccccc1-c1ccc(Br)cc1C.
What is the InChIKey of methyl N-[2-(4-bromo-2-methylphenyl)phenyl]carbamate?
The InChIKey is BQIIGLAIHAARLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrNO2/c1-10-9-11(16)7-8-12(10)13-5-3-4-6-14(13)17-15(18)19-2/h3-9H,1-2H3,(H,17,18).
What are the key properties of methyl N-[2-(4-bromo-2-methylphenyl)phenyl]carbamate?
methyl N-[2-(4-bromo-2-methylphenyl)phenyl]carbamate has a molecular weight of 320.19 g/mol, XLogP of 4.60, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[2-(4-bromo-2-methylphenyl)phenyl]carbamate is sourced from PubChem (CID 67752029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).