2-[(3-bromo-4-methylbenzoyl)amino]ethyl carbamate

C11H13BrN2O3 — CID 83203375

IUPAC2-[(3-bromo-4-methylbenzoyl)amino]ethyl carbamate
SMILESCc1ccc(C(=O)NCCOC(N)=O)cc1Br
InChIInChI=1S/C11H13BrN2O3/c1-7-2-3-8(6-9(7)12)10(15)14-4-5-17-11(13)16/h2-3,6H,4-5H2,1H3,(H2,13,16)(H,14,15)
InChIKeyNTEZPERJFQWBBA-UHFFFAOYSA-N
MW301.14 g/mol
LogP1.58
Rot. Bonds4

About 2-[(3-bromo-4-methylbenzoyl)amino]ethyl carbamate

2-[(3-bromo-4-methylbenzoyl)amino]ethyl carbamate (PubChem CID 83203375) has the molecular formula C11H13BrN2O3 and a molecular weight of 301.14 g/mol. Its IUPAC name is 2-[(3-bromo-4-methylbenzoyl)amino]ethyl carbamate.

Molecular Properties

Compound Name2-[(3-bromo-4-methylbenzoyl)amino]ethyl carbamate
PubChem CID83203375
Molecular FormulaC11H13BrN2O3
Molecular Weight301.14 g/mol
Exact Mass300.01
IUPAC Name2-[(3-bromo-4-methylbenzoyl)amino]ethyl carbamate
SMILESCc1ccc(C(=O)NCCOC(N)=O)cc1Br
InChIInChI=1S/C11H13BrN2O3/c1-7-2-3-8(6-9(7)12)10(15)14-4-5-17-11(13)16/h2-3,6H,4-5H2,1H3,(H2,13,16)(H,14,15)
InChIKeyNTEZPERJFQWBBA-UHFFFAOYSA-N
XLogP1.58
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.14
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-bromo-N-[2-(2-methoxyethoxy)ethyl]-4-methylbenzamide
CID 79466673
3-bromo-N-[2-(2-hydroxyethoxy)ethyl]-4-methylbenzamide
CID 81471797
N-(4-amino-4-oxobutyl)-3-bromo-4-methylbenzamide
CID 79466852
2-[[3-methyl-4-(methylamino)benzoyl]amino]ethyl carbamate
CID 83214863
2-[(3-bromobenzoyl)amino]ethyl carbamate
CID 83203374
3-bromo-4-methyl-N-(2-sulfamoylethyl)benzamide
CID 71982585
N-(3-aminobutyl)-3-bromo-4-methylbenzamide
CID 81476590
3-bromo-N-(2-methoxyethoxy)-4-methylbenzamide
CID 79676704
3-bromo-4-methyl-N-[2-(propan-2-ylamino)ethyl]benzamide
CID 81476107
3-bromo-N-[2-(ethylamino)ethyl]-4-methylbenzamide;hydrochloride
CID 119508624
3-bromo-N-(5-hydroxypentyl)-4-methylbenzamide
CID 107317891
2-[[3-fluoro-4-(4-fluoro-2-methylphenyl)benzoyl]amino]ethyl carbamate
CID 75498506

Frequently Asked Questions

What is the IUPAC name of 2-[(3-bromo-4-methylbenzoyl)amino]ethyl carbamate?
The IUPAC name of 2-[(3-bromo-4-methylbenzoyl)amino]ethyl carbamate (CID 83203375) is 2-[(3-bromo-4-methylbenzoyl)amino]ethyl carbamate.
What is the SMILES notation for 2-[(3-bromo-4-methylbenzoyl)amino]ethyl carbamate?
The canonical SMILES for 2-[(3-bromo-4-methylbenzoyl)amino]ethyl carbamate is Cc1ccc(C(=O)NCCOC(N)=O)cc1Br.
What is the InChIKey of 2-[(3-bromo-4-methylbenzoyl)amino]ethyl carbamate?
The InChIKey is NTEZPERJFQWBBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrN2O3/c1-7-2-3-8(6-9(7)12)10(15)14-4-5-17-11(13)16/h2-3,6H,4-5H2,1H3,(H2,13,16)(H,14,15).
What are the key properties of 2-[(3-bromo-4-methylbenzoyl)amino]ethyl carbamate?
2-[(3-bromo-4-methylbenzoyl)amino]ethyl carbamate has a molecular weight of 301.14 g/mol, XLogP of 1.58, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-bromo-4-methylbenzoyl)amino]ethyl carbamate is sourced from PubChem (CID 83203375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).