N-(2-amino-2-hydroxyiminoethyl)-2-bromo-N-cyclopentyl-5-fluorobenzamide

C14H17BrFN3O2 — CID 77038165

IUPACN-(2-amino-2-hydroxyiminoethyl)-2-bromo-N-cyclopentyl-5-fluorobenzamide
SMILESNC(CN(C(=O)c1cc(F)ccc1Br)C1CCCC1)=NO
InChIInChI=1S/C14H17BrFN3O2/c15-12-6-5-9(16)7-11(12)14(20)19(8-13(17)18-21)10-3-1-2-4-10/h5-7,10,21H,1-4,8H2,(H2,17,18)
InChIKeyLJIRLHJFIUOLEY-UHFFFAOYSA-N
MW358.21 g/mol
LogP2.72
Rot. Bonds4

About N-(2-amino-2-hydroxyiminoethyl)-2-bromo-N-cyclopentyl-5-fluorobenzamide

N-(2-amino-2-hydroxyiminoethyl)-2-bromo-N-cyclopentyl-5-fluorobenzamide (PubChem CID 77038165) has the molecular formula C14H17BrFN3O2 and a molecular weight of 358.21 g/mol. Its IUPAC name is N-(2-amino-2-hydroxyiminoethyl)-2-bromo-N-cyclopentyl-5-fluorobenzamide.

Molecular Properties

Compound NameN-(2-amino-2-hydroxyiminoethyl)-2-bromo-N-cyclopentyl-5-fluorobenzamide
PubChem CID77038165
Molecular FormulaC14H17BrFN3O2
Molecular Weight358.21 g/mol
Exact Mass357.05
IUPAC NameN-(2-amino-2-hydroxyiminoethyl)-2-bromo-N-cyclopentyl-5-fluorobenzamide
SMILESNC(CN(C(=O)c1cc(F)ccc1Br)C1CCCC1)=NO
InChIInChI=1S/C14H17BrFN3O2/c15-12-6-5-9(16)7-11(12)14(20)19(8-13(17)18-21)10-3-1-2-4-10/h5-7,10,21H,1-4,8H2,(H2,17,18)
InChIKeyLJIRLHJFIUOLEY-UHFFFAOYSA-N
XLogP2.72
TPSA78.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.21
LogP ≤ 52.72
H-Bond Donors ≤ 52
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-(2-amino-2-hydroxyiminoethyl)-2-bromo-N-cyclopentylbenzamide
CID 77044705
N-(2-amino-2-hydroxyiminoethyl)-4-bromo-2-chloro-N-cyclopentylbenzamide
CID 77044484
N-[(2Z)-2-amino-2-hydroxyiminoethyl]-N-cyclopentyl-2-fluoro-3-methylbenzamide
CID 81479946
N-(2-amino-2-hydroxyiminoethyl)-N-cyclopentyl-2-methoxybenzamide
CID 77044490
N-(2-amino-2-hydroxyiminoethyl)-5-chloro-N-cyclopentyl-2-hydroxybenzamide
CID 77038093
2-bromo-N-cyclopropyl-5-fluoro-N-propylbenzamide
CID 43270647
N-(2-amino-2-hydroxyiminoethyl)-5-bromo-N-cyclopentylthiophene-2-carboxamide
CID 77038217
N-(2-amino-2-hydroxyiminoethyl)-N-cyclopentyl-2-methylfuran-3-carboxamide
CID 77044866
N-(2-amino-2-hydroxyiminoethyl)-N-cyclopentyl-2,5-dimethylfuran-3-carboxamide
CID 77038100
N-(2-amino-2-oxoethyl)-2,5-difluoro-N-piperidin-3-ylbenzamide
CID 60801397
N-(2-amino-2-sulfanylideneethyl)-3-bromo-N-cyclopentyl-2-fluorobenzamide
CID 107951244
2-[cyclopentyl-[(2,5-difluorophenyl)methyl]amino]-N'-hydroxyethanimidamide
CID 78995782

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-hydroxyiminoethyl)-2-bromo-N-cyclopentyl-5-fluorobenzamide?
The IUPAC name of N-(2-amino-2-hydroxyiminoethyl)-2-bromo-N-cyclopentyl-5-fluorobenzamide (CID 77038165) is N-(2-amino-2-hydroxyiminoethyl)-2-bromo-N-cyclopentyl-5-fluorobenzamide.
What is the SMILES notation for N-(2-amino-2-hydroxyiminoethyl)-2-bromo-N-cyclopentyl-5-fluorobenzamide?
The canonical SMILES for N-(2-amino-2-hydroxyiminoethyl)-2-bromo-N-cyclopentyl-5-fluorobenzamide is NC(CN(C(=O)c1cc(F)ccc1Br)C1CCCC1)=NO.
What is the InChIKey of N-(2-amino-2-hydroxyiminoethyl)-2-bromo-N-cyclopentyl-5-fluorobenzamide?
The InChIKey is LJIRLHJFIUOLEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrFN3O2/c15-12-6-5-9(16)7-11(12)14(20)19(8-13(17)18-21)10-3-1-2-4-10/h5-7,10,21H,1-4,8H2,(H2,17,18).
What are the key properties of N-(2-amino-2-hydroxyiminoethyl)-2-bromo-N-cyclopentyl-5-fluorobenzamide?
N-(2-amino-2-hydroxyiminoethyl)-2-bromo-N-cyclopentyl-5-fluorobenzamide has a molecular weight of 358.21 g/mol, XLogP of 2.72, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-hydroxyiminoethyl)-2-bromo-N-cyclopentyl-5-fluorobenzamide is sourced from PubChem (CID 77038165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).