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

C14H12BrNO2 — CID 3453949

IUPACphenyl N-(2-bromo-4-methylphenyl)carbamate
SMILESCc1ccc(NC(=O)Oc2ccccc2)c(Br)c1
InChIInChI=1S/C14H12BrNO2/c1-10-7-8-13(12(15)9-10)16-14(17)18-11-5-3-2-4-6-11/h2-9H,1H3,(H,16,17)
InChIKeyAJLAHORSBGGTQF-UHFFFAOYSA-N
MW306.16 g/mol
LogP4.37
Rot. Bonds2

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

phenyl N-(2-bromo-4-methylphenyl)carbamate (PubChem CID 3453949) has the molecular formula C14H12BrNO2 and a molecular weight of 306.16 g/mol. Its IUPAC name is phenyl N-(2-bromo-4-methylphenyl)carbamate.

Molecular Properties

Compound Namephenyl N-(2-bromo-4-methylphenyl)carbamate
PubChem CID3453949
Molecular FormulaC14H12BrNO2
Molecular Weight306.16 g/mol
Exact Mass305.01
IUPAC Namephenyl N-(2-bromo-4-methylphenyl)carbamate
SMILESCc1ccc(NC(=O)Oc2ccccc2)c(Br)c1
InChIInChI=1S/C14H12BrNO2/c1-10-7-8-13(12(15)9-10)16-14(17)18-11-5-3-2-4-6-11/h2-9H,1H3,(H,16,17)
InChIKeyAJLAHORSBGGTQF-UHFFFAOYSA-N
XLogP4.37
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.16
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

phenyl N-(4-methyl-2-propoxyphenyl)carbamate
CID 61216988
N-(2-bromo-4-methylphenyl)-2,2-diphenylacetamide
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ethane;phenyl N-(4-bromo-3-methylphenyl)carbamate
CID 178164704
N-(2-bromo-4-methylphenyl)-2-(2-phenoxyethoxy)benzamide
CID 54784469
phenyl N-(2,6-dimethylquinolin-3-yl)carbamate
CID 155691129
4-methyl-5-(phenoxycarbonylamino)phthalic acid
CID 67543732
N-(2-bromo-4-methylphenyl)-3-phenylpropanamide
CID 730069
phenyl N-(5-bromo-4-chloro-2-fluorophenyl)carbamate
CID 166590808
N-(2-bromo-4-methylphenyl)-N'-methyl-N'-phenyloxamide
CID 108521021
N-(2-bromo-4-methylphenyl)-2-(4-phenylphenoxy)propanamide
CID 2969056
[4-[(2-bromo-4-methylphenyl)carbamoyl]phenyl] propanoate
CID 5031417
N,N'-bis(2-bromo-4-methylphenyl)butanediamide
CID 1039655

Frequently Asked Questions

What is the IUPAC name of phenyl N-(2-bromo-4-methylphenyl)carbamate?
The IUPAC name of phenyl N-(2-bromo-4-methylphenyl)carbamate (CID 3453949) is phenyl N-(2-bromo-4-methylphenyl)carbamate.
What is the SMILES notation for phenyl N-(2-bromo-4-methylphenyl)carbamate?
The canonical SMILES for phenyl N-(2-bromo-4-methylphenyl)carbamate is Cc1ccc(NC(=O)Oc2ccccc2)c(Br)c1.
What is the InChIKey of phenyl N-(2-bromo-4-methylphenyl)carbamate?
The InChIKey is AJLAHORSBGGTQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrNO2/c1-10-7-8-13(12(15)9-10)16-14(17)18-11-5-3-2-4-6-11/h2-9H,1H3,(H,16,17).
What are the key properties of phenyl N-(2-bromo-4-methylphenyl)carbamate?
phenyl N-(2-bromo-4-methylphenyl)carbamate has a molecular weight of 306.16 g/mol, XLogP of 4.37, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl N-(2-bromo-4-methylphenyl)carbamate is sourced from PubChem (CID 3453949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).