2-(4-bromophenoxy)ethyl N-(2-methylphenyl)carbamate

C16H16BrNO3 — CID 71384219

IUPAC2-(4-bromophenoxy)ethyl N-(2-methylphenyl)carbamate
SMILESCc1ccccc1NC(=O)OCCOc1ccc(Br)cc1
InChIInChI=1S/C16H16BrNO3/c1-12-4-2-3-5-15(12)18-16(19)21-11-10-20-14-8-6-13(17)7-9-14/h2-9H,10-11H2,1H3,(H,18,19)
InChIKeyZBZQYIUHKYCRON-UHFFFAOYSA-N
MW350.21 g/mol
LogP4.39
Rot. Bonds5

About 2-(4-bromophenoxy)ethyl N-(2-methylphenyl)carbamate

2-(4-bromophenoxy)ethyl N-(2-methylphenyl)carbamate (PubChem CID 71384219) has the molecular formula C16H16BrNO3 and a molecular weight of 350.21 g/mol. Its IUPAC name is 2-(4-bromophenoxy)ethyl N-(2-methylphenyl)carbamate.

Molecular Properties

Compound Name2-(4-bromophenoxy)ethyl N-(2-methylphenyl)carbamate
PubChem CID71384219
Molecular FormulaC16H16BrNO3
Molecular Weight350.21 g/mol
Exact Mass349.03
IUPAC Name2-(4-bromophenoxy)ethyl N-(2-methylphenyl)carbamate
SMILESCc1ccccc1NC(=O)OCCOc1ccc(Br)cc1
InChIInChI=1S/C16H16BrNO3/c1-12-4-2-3-5-15(12)18-16(19)21-11-10-20-14-8-6-13(17)7-9-14/h2-9H,10-11H2,1H3,(H,18,19)
InChIKeyZBZQYIUHKYCRON-UHFFFAOYSA-N
XLogP4.39
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.21
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-fluoroethyl N-(2-methylphenyl)carbamate
CID 86208928
N-(2-methylphenyl)-3-phenoxypropanamide
CID 725619
2-(4-bromophenoxy)ethyl (2S)-3-methyl-2-[(2-methylbenzoyl)amino]butanoate
CID 18227253
2-hydroxyethyl N-(5-bromo-2-methylphenyl)carbamate
CID 79348702
N-[2-(4-bromophenoxy)ethyl]-2-(2-methylphenyl)acetamide
CID 113099729
4-(4-ethoxyphenoxy)-N-(2-methylphenyl)butanamide
CID 7946732
4-(4-fluorophenoxy)-N-(2-methylphenyl)butanamide
CID 86919949
4-(3-bromophenoxy)-N-(2-methylphenyl)butanamide
CID 2086539
4-O-[2-(4-bromophenoxy)ethyl] 1-O-methyl benzene-1,4-dicarboxylate
CID 55308187
2-(4-methylphenoxy)-N-(2-methylphenyl)acetamide
CID 836156
4-[3-(3-methylphenoxy)propoxy]-N-(2-methylphenyl)benzamide
CID 7709509
[2-(2,3-dimethylanilino)-2-oxoethyl] 2-(4-bromophenoxy)acetate
CID 9140402

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenoxy)ethyl N-(2-methylphenyl)carbamate?
The IUPAC name of 2-(4-bromophenoxy)ethyl N-(2-methylphenyl)carbamate (CID 71384219) is 2-(4-bromophenoxy)ethyl N-(2-methylphenyl)carbamate.
What is the SMILES notation for 2-(4-bromophenoxy)ethyl N-(2-methylphenyl)carbamate?
The canonical SMILES for 2-(4-bromophenoxy)ethyl N-(2-methylphenyl)carbamate is Cc1ccccc1NC(=O)OCCOc1ccc(Br)cc1.
What is the InChIKey of 2-(4-bromophenoxy)ethyl N-(2-methylphenyl)carbamate?
The InChIKey is ZBZQYIUHKYCRON-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrNO3/c1-12-4-2-3-5-15(12)18-16(19)21-11-10-20-14-8-6-13(17)7-9-14/h2-9H,10-11H2,1H3,(H,18,19).
What are the key properties of 2-(4-bromophenoxy)ethyl N-(2-methylphenyl)carbamate?
2-(4-bromophenoxy)ethyl N-(2-methylphenyl)carbamate has a molecular weight of 350.21 g/mol, XLogP of 4.39, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenoxy)ethyl N-(2-methylphenyl)carbamate is sourced from PubChem (CID 71384219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).