2-[(4-bromo-2-fluorobenzoyl)amino]ethyl carbamate

C10H10BrFN2O3 — CID 83204466

IUPAC2-[(4-bromo-2-fluorobenzoyl)amino]ethyl carbamate
SMILESNC(=O)OCCNC(=O)c1ccc(Br)cc1F
InChIInChI=1S/C10H10BrFN2O3/c11-6-1-2-7(8(12)5-6)9(15)14-3-4-17-10(13)16/h1-2,5H,3-4H2,(H2,13,16)(H,14,15)
InChIKeyWWKHMSRFIHWSGV-UHFFFAOYSA-N
MW305.10 g/mol
LogP1.41
Rot. Bonds4

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

2-[(4-bromo-2-fluorobenzoyl)amino]ethyl carbamate (PubChem CID 83204466) has the molecular formula C10H10BrFN2O3 and a molecular weight of 305.10 g/mol. Its IUPAC name is 2-[(4-bromo-2-fluorobenzoyl)amino]ethyl carbamate.

Molecular Properties

Compound Name2-[(4-bromo-2-fluorobenzoyl)amino]ethyl carbamate
PubChem CID83204466
Molecular FormulaC10H10BrFN2O3
Molecular Weight305.10 g/mol
Exact Mass303.99
IUPAC Name2-[(4-bromo-2-fluorobenzoyl)amino]ethyl carbamate
SMILESNC(=O)OCCNC(=O)c1ccc(Br)cc1F
InChIInChI=1S/C10H10BrFN2O3/c11-6-1-2-7(8(12)5-6)9(15)14-3-4-17-10(13)16/h1-2,5H,3-4H2,(H2,13,16)(H,14,15)
InChIKeyWWKHMSRFIHWSGV-UHFFFAOYSA-N
XLogP1.41
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.10
LogP ≤ 51.41
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

2-[(2-fluoro-4-methylbenzoyl)amino]ethyl carbamate
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CID 83203569
4-bromo-2-fluoro-N-(3-methoxypropyl)benzamide
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4-bromo-N-(3-ethoxypropyl)-2-fluorobenzamide
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4-bromo-N-(3-chloropropyl)-2-fluorobenzamide
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4-bromo-2-fluoro-N-(4-hydroxybutyl)benzamide
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4-bromo-N-(6-bromohexyl)-2-fluorobenzamide
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4-bromo-2-fluoro-N-[2-(2-methylpropanoylamino)ethyl]benzamide
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4-bromo-2-fluoro-N-(methoxymethyl)benzamide
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Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromo-2-fluorobenzoyl)amino]ethyl carbamate?
The IUPAC name of 2-[(4-bromo-2-fluorobenzoyl)amino]ethyl carbamate (CID 83204466) is 2-[(4-bromo-2-fluorobenzoyl)amino]ethyl carbamate.
What is the SMILES notation for 2-[(4-bromo-2-fluorobenzoyl)amino]ethyl carbamate?
The canonical SMILES for 2-[(4-bromo-2-fluorobenzoyl)amino]ethyl carbamate is NC(=O)OCCNC(=O)c1ccc(Br)cc1F.
What is the InChIKey of 2-[(4-bromo-2-fluorobenzoyl)amino]ethyl carbamate?
The InChIKey is WWKHMSRFIHWSGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrFN2O3/c11-6-1-2-7(8(12)5-6)9(15)14-3-4-17-10(13)16/h1-2,5H,3-4H2,(H2,13,16)(H,14,15).
What are the key properties of 2-[(4-bromo-2-fluorobenzoyl)amino]ethyl carbamate?
2-[(4-bromo-2-fluorobenzoyl)amino]ethyl carbamate has a molecular weight of 305.10 g/mol, XLogP of 1.41, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromo-2-fluorobenzoyl)amino]ethyl carbamate is sourced from PubChem (CID 83204466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).