2-[(5-bromo-2-fluorobenzoyl)amino]ethyl N-methylcarbamate

C11H12BrFN2O3 — CID 139467608

IUPAC2-[(5-bromo-2-fluorobenzoyl)amino]ethyl N-methylcarbamate
SMILESCNC(=O)OCCNC(=O)c1cc(Br)ccc1F
InChIInChI=1S/C11H12BrFN2O3/c1-14-11(17)18-5-4-15-10(16)8-6-7(12)2-3-9(8)13/h2-3,6H,4-5H2,1H3,(H,14,17)(H,15,16)
InChIKeyNEWHGSSXWXGZQN-UHFFFAOYSA-N
MW319.13 g/mol
LogP1.67
Rot. Bonds4

About 2-[(5-bromo-2-fluorobenzoyl)amino]ethyl N-methylcarbamate

2-[(5-bromo-2-fluorobenzoyl)amino]ethyl N-methylcarbamate (PubChem CID 139467608) has the molecular formula C11H12BrFN2O3 and a molecular weight of 319.13 g/mol. Its IUPAC name is 2-[(5-bromo-2-fluorobenzoyl)amino]ethyl N-methylcarbamate.

Molecular Properties

Compound Name2-[(5-bromo-2-fluorobenzoyl)amino]ethyl N-methylcarbamate
PubChem CID139467608
Molecular FormulaC11H12BrFN2O3
Molecular Weight319.13 g/mol
Exact Mass318.00
IUPAC Name2-[(5-bromo-2-fluorobenzoyl)amino]ethyl N-methylcarbamate
SMILESCNC(=O)OCCNC(=O)c1cc(Br)ccc1F
InChIInChI=1S/C11H12BrFN2O3/c1-14-11(17)18-5-4-15-10(16)8-6-7(12)2-3-9(8)13/h2-3,6H,4-5H2,1H3,(H,14,17)(H,15,16)
InChIKeyNEWHGSSXWXGZQN-UHFFFAOYSA-N
XLogP1.67
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.13
LogP ≤ 51.67
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

N-(3-amino-3-oxopropyl)-5-bromo-2-fluorobenzamide
CID 43553754
5-bromo-2-fluoro-N-[2-(2-methoxyethylamino)-2-oxoethyl]benzamide
CID 113219434
5-bromo-2-fluoro-N-(2-phenoxyethyl)benzamide
CID 17431359
5-bromo-2-fluoro-N-(7-methyloctyl)benzamide
CID 63525308
N-(3-amino-3-hydroxyiminopropyl)-5-bromo-2-fluorobenzamide
CID 76953114
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CID 24691608
5-bromo-2-fluoro-N-[2-(methanesulfonamido)ethyl]benzamide
CID 36909799
N-(2-amino-2-oxoethyl)-5-bromo-2-fluorobenzamide
CID 9296512
N-[2-(3-aminophenoxy)ethyl]-5-bromo-2-fluorobenzamide
CID 61030857
2-[(4-bromo-2-fluorobenzoyl)amino]ethyl carbamate
CID 83204466
5-bromo-2-fluoro-N-[2-(2-fluorophenyl)ethyl]benzamide
CID 24694264
5-bromo-2-fluoro-N-[2-(methylamino)propyl]benzamide
CID 120827060

Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromo-2-fluorobenzoyl)amino]ethyl N-methylcarbamate?
The IUPAC name of 2-[(5-bromo-2-fluorobenzoyl)amino]ethyl N-methylcarbamate (CID 139467608) is 2-[(5-bromo-2-fluorobenzoyl)amino]ethyl N-methylcarbamate.
What is the SMILES notation for 2-[(5-bromo-2-fluorobenzoyl)amino]ethyl N-methylcarbamate?
The canonical SMILES for 2-[(5-bromo-2-fluorobenzoyl)amino]ethyl N-methylcarbamate is CNC(=O)OCCNC(=O)c1cc(Br)ccc1F.
What is the InChIKey of 2-[(5-bromo-2-fluorobenzoyl)amino]ethyl N-methylcarbamate?
The InChIKey is NEWHGSSXWXGZQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrFN2O3/c1-14-11(17)18-5-4-15-10(16)8-6-7(12)2-3-9(8)13/h2-3,6H,4-5H2,1H3,(H,14,17)(H,15,16).
What are the key properties of 2-[(5-bromo-2-fluorobenzoyl)amino]ethyl N-methylcarbamate?
2-[(5-bromo-2-fluorobenzoyl)amino]ethyl N-methylcarbamate has a molecular weight of 319.13 g/mol, XLogP of 1.67, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-bromo-2-fluorobenzoyl)amino]ethyl N-methylcarbamate is sourced from PubChem (CID 139467608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).