(2-bromo-4,5-dimethylphenyl) N-(4-ethoxyphenyl)carbamate

C17H18BrNO3 — CID 4277992

IUPAC(2-bromo-4,5-dimethylphenyl) N-(4-ethoxyphenyl)carbamate
SMILESCCOc1ccc(NC(=O)Oc2cc(C)c(C)cc2Br)cc1
InChIInChI=1S/C17H18BrNO3/c1-4-21-14-7-5-13(6-8-14)19-17(20)22-16-10-12(3)11(2)9-15(16)18/h5-10H,4H2,1-3H3,(H,19,20)
InChIKeyDETWXKGGUSCSAH-UHFFFAOYSA-N
MW364.24 g/mol
LogP5.08
Rot. Bonds4

About (2-bromo-4,5-dimethylphenyl) N-(4-ethoxyphenyl)carbamate

(2-bromo-4,5-dimethylphenyl) N-(4-ethoxyphenyl)carbamate (PubChem CID 4277992) has the molecular formula C17H18BrNO3 and a molecular weight of 364.24 g/mol. Its IUPAC name is (2-bromo-4,5-dimethylphenyl) N-(4-ethoxyphenyl)carbamate.

Molecular Properties

Compound Name(2-bromo-4,5-dimethylphenyl) N-(4-ethoxyphenyl)carbamate
PubChem CID4277992
Molecular FormulaC17H18BrNO3
Molecular Weight364.24 g/mol
Exact Mass363.05
IUPAC Name(2-bromo-4,5-dimethylphenyl) N-(4-ethoxyphenyl)carbamate
SMILESCCOc1ccc(NC(=O)Oc2cc(C)c(C)cc2Br)cc1
InChIInChI=1S/C17H18BrNO3/c1-4-21-14-7-5-13(6-8-14)19-17(20)22-16-10-12(3)11(2)9-15(16)18/h5-10H,4H2,1-3H3,(H,19,20)
InChIKeyDETWXKGGUSCSAH-UHFFFAOYSA-N
XLogP5.08
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.24
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N'-(4-bromo-3-methylphenyl)-N-(4-ethoxyphenyl)oxamide
CID 108514525
2-(4-bromo-5-methyl-2-propan-2-ylphenoxy)-N-(4-ethoxyphenyl)acetamide
CID 3280740
(4-ethoxyphenyl)carbamoyl hydrogen carbonate
CID 23180192
ethyl 2-(4-ethoxyanilino)-2-oxoacetate
CID 2204010
N-(4-bromo-3,5-dimethylphenyl)-4-ethoxybenzamide
CID 107574997
quinolin-8-yl N-(4-ethoxyphenyl)carbamate
CID 3434150
N'-(4-ethoxyphenyl)-N-(4-methylphenyl)oxamide
CID 44995934
ethyl 4-[(2-chloro-4,5-dimethylphenoxy)carbonylamino]benzoate
CID 3368957
[1-(4-ethoxyanilino)-1-oxopropan-2-yl] 3-bromo-4-methoxybenzoate
CID 46626323
N-(4-ethoxyphenyl)-N'-(3-methylphenyl)oxamide
CID 44996305
2-(2-bromophenoxy)-N-(4-ethoxyphenyl)acetamide
CID 1183062
1-(3-bromo-4-methylphenyl)-3-[2-(4-ethoxyphenoxy)ethyl]urea
CID 112973207

Frequently Asked Questions

What is the IUPAC name of (2-bromo-4,5-dimethylphenyl) N-(4-ethoxyphenyl)carbamate?
The IUPAC name of (2-bromo-4,5-dimethylphenyl) N-(4-ethoxyphenyl)carbamate (CID 4277992) is (2-bromo-4,5-dimethylphenyl) N-(4-ethoxyphenyl)carbamate.
What is the SMILES notation for (2-bromo-4,5-dimethylphenyl) N-(4-ethoxyphenyl)carbamate?
The canonical SMILES for (2-bromo-4,5-dimethylphenyl) N-(4-ethoxyphenyl)carbamate is CCOc1ccc(NC(=O)Oc2cc(C)c(C)cc2Br)cc1.
What is the InChIKey of (2-bromo-4,5-dimethylphenyl) N-(4-ethoxyphenyl)carbamate?
The InChIKey is DETWXKGGUSCSAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrNO3/c1-4-21-14-7-5-13(6-8-14)19-17(20)22-16-10-12(3)11(2)9-15(16)18/h5-10H,4H2,1-3H3,(H,19,20).
What are the key properties of (2-bromo-4,5-dimethylphenyl) N-(4-ethoxyphenyl)carbamate?
(2-bromo-4,5-dimethylphenyl) N-(4-ethoxyphenyl)carbamate has a molecular weight of 364.24 g/mol, XLogP of 5.08, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-4,5-dimethylphenyl) N-(4-ethoxyphenyl)carbamate is sourced from PubChem (CID 4277992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).