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

C10H12FN3O2 — CID 76952740

IUPACN-(3-amino-3-hydroxyiminopropyl)-2-fluorobenzamide
SMILESNC(CCNC(=O)c1ccccc1F)=NO
InChIInChI=1S/C10H12FN3O2/c11-8-4-2-1-3-7(8)10(15)13-6-5-9(12)14-16/h1-4,16H,5-6H2,(H2,12,14)(H,13,15)
InChIKeyFTZZMKCOHANPIW-UHFFFAOYSA-N
MW225.22 g/mol
LogP0.69
Rot. Bonds4

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

N-(3-amino-3-hydroxyiminopropyl)-2-fluorobenzamide (PubChem CID 76952740) has the molecular formula C10H12FN3O2 and a molecular weight of 225.22 g/mol. Its IUPAC name is N-(3-amino-3-hydroxyiminopropyl)-2-fluorobenzamide.

Molecular Properties

Compound NameN-(3-amino-3-hydroxyiminopropyl)-2-fluorobenzamide
PubChem CID76952740
Molecular FormulaC10H12FN3O2
Molecular Weight225.22 g/mol
Exact Mass225.09
IUPAC NameN-(3-amino-3-hydroxyiminopropyl)-2-fluorobenzamide
SMILESNC(CCNC(=O)c1ccccc1F)=NO
InChIInChI=1S/C10H12FN3O2/c11-8-4-2-1-3-7(8)10(15)13-6-5-9(12)14-16/h1-4,16H,5-6H2,(H2,12,14)(H,13,15)
InChIKeyFTZZMKCOHANPIW-UHFFFAOYSA-N
XLogP0.69
TPSA87.71 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.22
LogP ≤ 50.69
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-(3-amino-3-hydroxyiminopropyl)-2,3-difluorobenzamide
CID 76948110
N-(3-amino-3-hydroxyiminopropyl)-5-bromo-2-fluorobenzamide
CID 76953114
N-[(3Z)-3-amino-3-hydroxyiminopropyl]-2-fluoro-3-methylbenzamide
CID 81477532
N-(3-amino-3-hydroxyiminopropyl)-5-fluoro-2-methylbenzamide
CID 76985782
N-(3-amino-3-hydroxyiminopropyl)-2,4,5-trifluoro-3-hydroxybenzamide
CID 76948281
N-(2-amino-2-hydroxyiminoethyl)-2,3-difluorobenzamide
CID 76948126
N-(4-amino-4-sulfanylidenebutyl)-2-fluorobenzamide
CID 62666034
N-(5-amino-5-hydroxyiminopentyl)-2,4-difluorobenzamide
CID 77036797
N-(4-amino-4-hydroxyiminobutyl)-5-bromo-2-fluorobenzamide
CID 76947494
N-[(3E)-3-amino-3-hydroxyiminopropyl]-4-bromo-3-fluorobenzamide
CID 55102044
N-(5-amino-5-hydroxyiminopentyl)-3-fluoropyridine-4-carboxamide
CID 77054826
N-[2-[(2-chlorobenzoyl)amino]ethyl]-2-fluorobenzamide
CID 108538189

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-3-hydroxyiminopropyl)-2-fluorobenzamide?
The IUPAC name of N-(3-amino-3-hydroxyiminopropyl)-2-fluorobenzamide (CID 76952740) is N-(3-amino-3-hydroxyiminopropyl)-2-fluorobenzamide.
What is the SMILES notation for N-(3-amino-3-hydroxyiminopropyl)-2-fluorobenzamide?
The canonical SMILES for N-(3-amino-3-hydroxyiminopropyl)-2-fluorobenzamide is NC(CCNC(=O)c1ccccc1F)=NO.
What is the InChIKey of N-(3-amino-3-hydroxyiminopropyl)-2-fluorobenzamide?
The InChIKey is FTZZMKCOHANPIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FN3O2/c11-8-4-2-1-3-7(8)10(15)13-6-5-9(12)14-16/h1-4,16H,5-6H2,(H2,12,14)(H,13,15).
What are the key properties of N-(3-amino-3-hydroxyiminopropyl)-2-fluorobenzamide?
N-(3-amino-3-hydroxyiminopropyl)-2-fluorobenzamide has a molecular weight of 225.22 g/mol, XLogP of 0.69, 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)-2-fluorobenzamide is sourced from PubChem (CID 76952740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).