(4-bromo-2-methylphenyl) N-ethylcarbamate

C10H12BrNO2 — CID 54003233

IUPAC(4-bromo-2-methylphenyl) N-ethylcarbamate
SMILESCCNC(=O)Oc1ccc(Br)cc1C
InChIInChI=1S/C10H12BrNO2/c1-3-12-10(13)14-9-5-4-8(11)6-7(9)2/h4-6H,3H2,1-2H3,(H,12,13)
InChIKeyKNBSKKNZMKWRFY-UHFFFAOYSA-N
MW258.11 g/mol
LogP2.87
Rot. Bonds2

About (4-bromo-2-methylphenyl) N-ethylcarbamate

(4-bromo-2-methylphenyl) N-ethylcarbamate (PubChem CID 54003233) has the molecular formula C10H12BrNO2 and a molecular weight of 258.11 g/mol. Its IUPAC name is (4-bromo-2-methylphenyl) N-ethylcarbamate.

Molecular Properties

Compound Name(4-bromo-2-methylphenyl) N-ethylcarbamate
PubChem CID54003233
Molecular FormulaC10H12BrNO2
Molecular Weight258.11 g/mol
Exact Mass257.01
IUPAC Name(4-bromo-2-methylphenyl) N-ethylcarbamate
SMILESCCNC(=O)Oc1ccc(Br)cc1C
InChIInChI=1S/C10H12BrNO2/c1-3-12-10(13)14-9-5-4-8(11)6-7(9)2/h4-6H,3H2,1-2H3,(H,12,13)
InChIKeyKNBSKKNZMKWRFY-UHFFFAOYSA-N
XLogP2.87
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.11
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (4-bromo-2-methylphenyl) N-ethylcarbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4-bromo-2-methylphenyl) prop-2-ynoate
CID 130622286
(4-bromo-2-methylphenyl) 2-(4-bromo-2,6-dimethylphenoxy)acetate
CID 23011169
(2,3-dimethylphenyl) N-ethylcarbamate
CID 127545689
2-(4-bromo-2-methylphenoxy)-N-[3-[[2-(4-bromo-2-methylphenoxy)acetyl]amino]propyl]acetamide
CID 4981184
2-(4-bromo-2-methylphenoxy)acetamide
CID 803456
2-[[2-(4-bromo-2-methylphenoxy)acetyl]amino]-N-ethylbenzamide
CID 4949446
O-(4-bromo-2-methylphenyl) N,N-dimethylcarbamothioate
CID 59715418
2-(5-bromo-2-methoxyphenyl)-N-ethyl-2-oxoacetamide
CID 82124362
(4-bromo-2,6-dimethylphenyl) 2-(4-bromo-2-methylphenoxy)acetate
CID 3307497
2-(4-bromo-2-methylphenoxy)-1-(3-bromophenyl)ethanone
CID 55221609
2-(2-amino-4-bromophenoxy)-N-ethylacetamide
CID 65430348
(4-bromo-2-methylphenyl) 4-(3-methylbutoxy)benzoate
CID 23011775

Frequently Asked Questions

What is the IUPAC name of (4-bromo-2-methylphenyl) N-ethylcarbamate?
The IUPAC name of (4-bromo-2-methylphenyl) N-ethylcarbamate (CID 54003233) is (4-bromo-2-methylphenyl) N-ethylcarbamate.
What is the SMILES notation for (4-bromo-2-methylphenyl) N-ethylcarbamate?
The canonical SMILES for (4-bromo-2-methylphenyl) N-ethylcarbamate is CCNC(=O)Oc1ccc(Br)cc1C.
What is the InChIKey of (4-bromo-2-methylphenyl) N-ethylcarbamate?
The InChIKey is KNBSKKNZMKWRFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrNO2/c1-3-12-10(13)14-9-5-4-8(11)6-7(9)2/h4-6H,3H2,1-2H3,(H,12,13).
What are the key properties of (4-bromo-2-methylphenyl) N-ethylcarbamate?
(4-bromo-2-methylphenyl) N-ethylcarbamate has a molecular weight of 258.11 g/mol, XLogP of 2.87, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-2-methylphenyl) N-ethylcarbamate is sourced from PubChem (CID 54003233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).