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

C10H11BrFN3O2 — CID 76953114

IUPACN-(3-amino-3-hydroxyiminopropyl)-5-bromo-2-fluorobenzamide
SMILESNC(CCNC(=O)c1cc(Br)ccc1F)=NO
InChIInChI=1S/C10H11BrFN3O2/c11-6-1-2-8(12)7(5-6)10(16)14-4-3-9(13)15-17/h1-2,5,17H,3-4H2,(H2,13,15)(H,14,16)
InChIKeyQBXXAVGMGSKIAD-UHFFFAOYSA-N
MW304.12 g/mol
LogP1.45
Rot. Bonds4

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

N-(3-amino-3-hydroxyiminopropyl)-5-bromo-2-fluorobenzamide (PubChem CID 76953114) has the molecular formula C10H11BrFN3O2 and a molecular weight of 304.12 g/mol. Its IUPAC name is N-(3-amino-3-hydroxyiminopropyl)-5-bromo-2-fluorobenzamide.

Molecular Properties

Compound NameN-(3-amino-3-hydroxyiminopropyl)-5-bromo-2-fluorobenzamide
PubChem CID76953114
Molecular FormulaC10H11BrFN3O2
Molecular Weight304.12 g/mol
Exact Mass303.00
IUPAC NameN-(3-amino-3-hydroxyiminopropyl)-5-bromo-2-fluorobenzamide
SMILESNC(CCNC(=O)c1cc(Br)ccc1F)=NO
InChIInChI=1S/C10H11BrFN3O2/c11-6-1-2-8(12)7(5-6)10(16)14-4-3-9(13)15-17/h1-2,5,17H,3-4H2,(H2,13,15)(H,14,16)
InChIKeyQBXXAVGMGSKIAD-UHFFFAOYSA-N
XLogP1.45
TPSA87.71 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.12
LogP ≤ 51.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(4-amino-4-hydroxyiminobutyl)-5-bromo-2-fluorobenzamide
CID 76947494
N-(3-amino-3-oxopropyl)-5-bromo-2-fluorobenzamide
CID 43553754
N-(3-amino-3-hydroxyiminopropyl)-2-fluorobenzamide
CID 76952740
N-(3-amino-3-hydroxyiminopropyl)-2,3-difluorobenzamide
CID 76948110
N-(2-amino-2-oxoethyl)-5-bromo-2-fluorobenzamide
CID 9296512
N-[(3E)-3-amino-3-hydroxyiminopropyl]-4-bromo-3-fluorobenzamide
CID 55102044
2-[(5-bromo-2-fluorobenzoyl)amino]ethyl N-methylcarbamate
CID 139467608
N-(3-amino-3-hydroxyiminopropyl)-2,4,5-trifluoro-3-hydroxybenzamide
CID 76948281
N-(3-amino-3-hydroxyiminopropyl)-5-fluoro-2-methylbenzamide
CID 76985782
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
N-[(3Z)-3-amino-3-hydroxyiminopropyl]-2-fluoro-3-methylbenzamide
CID 81477532

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-3-hydroxyiminopropyl)-5-bromo-2-fluorobenzamide?
The IUPAC name of N-(3-amino-3-hydroxyiminopropyl)-5-bromo-2-fluorobenzamide (CID 76953114) is N-(3-amino-3-hydroxyiminopropyl)-5-bromo-2-fluorobenzamide.
What is the SMILES notation for N-(3-amino-3-hydroxyiminopropyl)-5-bromo-2-fluorobenzamide?
The canonical SMILES for N-(3-amino-3-hydroxyiminopropyl)-5-bromo-2-fluorobenzamide is NC(CCNC(=O)c1cc(Br)ccc1F)=NO.
What is the InChIKey of N-(3-amino-3-hydroxyiminopropyl)-5-bromo-2-fluorobenzamide?
The InChIKey is QBXXAVGMGSKIAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrFN3O2/c11-6-1-2-8(12)7(5-6)10(16)14-4-3-9(13)15-17/h1-2,5,17H,3-4H2,(H2,13,15)(H,14,16).
What are the key properties of N-(3-amino-3-hydroxyiminopropyl)-5-bromo-2-fluorobenzamide?
N-(3-amino-3-hydroxyiminopropyl)-5-bromo-2-fluorobenzamide has a molecular weight of 304.12 g/mol, XLogP of 1.45, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-3-hydroxyiminopropyl)-5-bromo-2-fluorobenzamide is sourced from PubChem (CID 76953114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).