N-(3-amino-3-oxopropyl)-5-bromo-2-fluorobenzamide

C10H10BrFN2O2 — CID 43553754

IUPACN-(3-amino-3-oxopropyl)-5-bromo-2-fluorobenzamide
SMILESNC(=O)CCNC(=O)c1cc(Br)ccc1F
InChIInChI=1S/C10H10BrFN2O2/c11-6-1-2-8(12)7(5-6)10(16)14-4-3-9(13)15/h1-2,5H,3-4H2,(H2,13,15)(H,14,16)
InChIKeyMJSMBTDWSVILKV-UHFFFAOYSA-N
MW289.10 g/mol
LogP1.19
Rot. Bonds4

About N-(3-amino-3-oxopropyl)-5-bromo-2-fluorobenzamide

N-(3-amino-3-oxopropyl)-5-bromo-2-fluorobenzamide (PubChem CID 43553754) has the molecular formula C10H10BrFN2O2 and a molecular weight of 289.10 g/mol. Its IUPAC name is N-(3-amino-3-oxopropyl)-5-bromo-2-fluorobenzamide.

Molecular Properties

Compound NameN-(3-amino-3-oxopropyl)-5-bromo-2-fluorobenzamide
PubChem CID43553754
Molecular FormulaC10H10BrFN2O2
Molecular Weight289.10 g/mol
Exact Mass287.99
IUPAC NameN-(3-amino-3-oxopropyl)-5-bromo-2-fluorobenzamide
SMILESNC(=O)CCNC(=O)c1cc(Br)ccc1F
InChIInChI=1S/C10H10BrFN2O2/c11-6-1-2-8(12)7(5-6)10(16)14-4-3-9(13)15/h1-2,5H,3-4H2,(H2,13,15)(H,14,16)
InChIKeyMJSMBTDWSVILKV-UHFFFAOYSA-N
XLogP1.19
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.10
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-(3-amino-3-oxopropyl)-5-bromo-2-fluorobenzamide 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

N-(3-amino-3-hydroxyiminopropyl)-5-bromo-2-fluorobenzamide
CID 76953114
N-(2-amino-2-oxoethyl)-5-bromo-2-fluorobenzamide
CID 9296512
N-(4-amino-4-hydroxyiminobutyl)-5-bromo-2-fluorobenzamide
CID 76947494
2-[(5-bromo-2-fluorobenzoyl)amino]ethyl N-methylcarbamate
CID 139467608
5-bromo-2-fluoro-N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzamide
CID 60651347
5-bromo-2-fluoro-N-[2-(2-fluorophenyl)ethyl]benzamide
CID 24694264
5-bromo-N-[2-(diethylamino)ethyl]-2-fluorobenzamide
CID 24691608
5-bromo-2-fluoro-N-[2-(methanesulfonamido)ethyl]benzamide
CID 36909799
5-bromo-2-fluoro-N-[2-(trifluoromethylsulfanyl)ethyl]benzamide
CID 113223361
5-bromo-2-fluoro-N-(2-phenoxyethyl)benzamide
CID 17431359
5-bromo-N-(4-cyanobutyl)-2-fluorobenzamide
CID 63284457
5-bromo-2-fluoro-N-[2-(2-hydroxypropylamino)ethyl]benzamide
CID 104593777

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-3-oxopropyl)-5-bromo-2-fluorobenzamide?
The IUPAC name of N-(3-amino-3-oxopropyl)-5-bromo-2-fluorobenzamide (CID 43553754) is N-(3-amino-3-oxopropyl)-5-bromo-2-fluorobenzamide.
What is the SMILES notation for N-(3-amino-3-oxopropyl)-5-bromo-2-fluorobenzamide?
The canonical SMILES for N-(3-amino-3-oxopropyl)-5-bromo-2-fluorobenzamide is NC(=O)CCNC(=O)c1cc(Br)ccc1F.
What is the InChIKey of N-(3-amino-3-oxopropyl)-5-bromo-2-fluorobenzamide?
The InChIKey is MJSMBTDWSVILKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrFN2O2/c11-6-1-2-8(12)7(5-6)10(16)14-4-3-9(13)15/h1-2,5H,3-4H2,(H2,13,15)(H,14,16).
What are the key properties of N-(3-amino-3-oxopropyl)-5-bromo-2-fluorobenzamide?
N-(3-amino-3-oxopropyl)-5-bromo-2-fluorobenzamide has a molecular weight of 289.10 g/mol, XLogP of 1.19, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-3-oxopropyl)-5-bromo-2-fluorobenzamide is sourced from PubChem (CID 43553754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).