N-(2-amino-2-hydroxyiminoethyl)-2-bromo-N-cyclopentylbenzamide

C14H18BrN3O2 — CID 77044705

IUPACN-(2-amino-2-hydroxyiminoethyl)-2-bromo-N-cyclopentylbenzamide
SMILESNC(CN(C(=O)c1ccccc1Br)C1CCCC1)=NO
InChIInChI=1S/C14H18BrN3O2/c15-12-8-4-3-7-11(12)14(19)18(9-13(16)17-20)10-5-1-2-6-10/h3-4,7-8,10,20H,1-2,5-6,9H2,(H2,16,17)
InChIKeyLRUUPMMBXNNZEL-UHFFFAOYSA-N
MW340.22 g/mol
LogP2.58
Rot. Bonds4

About N-(2-amino-2-hydroxyiminoethyl)-2-bromo-N-cyclopentylbenzamide

N-(2-amino-2-hydroxyiminoethyl)-2-bromo-N-cyclopentylbenzamide (PubChem CID 77044705) has the molecular formula C14H18BrN3O2 and a molecular weight of 340.22 g/mol. Its IUPAC name is N-(2-amino-2-hydroxyiminoethyl)-2-bromo-N-cyclopentylbenzamide.

Molecular Properties

Compound NameN-(2-amino-2-hydroxyiminoethyl)-2-bromo-N-cyclopentylbenzamide
PubChem CID77044705
Molecular FormulaC14H18BrN3O2
Molecular Weight340.22 g/mol
Exact Mass339.06
IUPAC NameN-(2-amino-2-hydroxyiminoethyl)-2-bromo-N-cyclopentylbenzamide
SMILESNC(CN(C(=O)c1ccccc1Br)C1CCCC1)=NO
InChIInChI=1S/C14H18BrN3O2/c15-12-8-4-3-7-11(12)14(19)18(9-13(16)17-20)10-5-1-2-6-10/h3-4,7-8,10,20H,1-2,5-6,9H2,(H2,16,17)
InChIKeyLRUUPMMBXNNZEL-UHFFFAOYSA-N
XLogP2.58
TPSA78.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.22
LogP ≤ 52.58
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-cyclopentyl-5-fluorobenzamide
CID 77038165
N-(2-amino-2-hydroxyiminoethyl)-N-cyclopentyl-2-methoxybenzamide
CID 77044490
N-[(2Z)-2-amino-2-hydroxyiminoethyl]-N-cyclopentyl-2-fluoro-3-methylbenzamide
CID 81479946
N-(2-amino-2-hydroxyiminoethyl)-4-bromo-2-chloro-N-cyclopentylbenzamide
CID 77044484
2-bromo-N-(2-chloroethyl)-N-cyclopentylbenzamide
CID 55187214
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
2-bromo-N,N-dicyclopentylbenzamide
CID 67873213
N-(2-amino-2-hydroxyiminoethyl)-N-cyclopentyl-2-methoxypyridine-3-carboxamide
CID 77037925
2-bromo-N-(2-bromoethyl)-N-cyclobutylbenzamide
CID 102873258
N-(2-amino-2-sulfanylideneethyl)-3-bromo-N-cyclopentyl-2-fluorobenzamide
CID 107951244
N-(2-amino-2-hydroxyiminoethyl)-5-chloro-N-cyclopentyl-2-hydroxybenzamide
CID 77038093

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-hydroxyiminoethyl)-2-bromo-N-cyclopentylbenzamide?
The IUPAC name of N-(2-amino-2-hydroxyiminoethyl)-2-bromo-N-cyclopentylbenzamide (CID 77044705) is N-(2-amino-2-hydroxyiminoethyl)-2-bromo-N-cyclopentylbenzamide.
What is the SMILES notation for N-(2-amino-2-hydroxyiminoethyl)-2-bromo-N-cyclopentylbenzamide?
The canonical SMILES for N-(2-amino-2-hydroxyiminoethyl)-2-bromo-N-cyclopentylbenzamide is NC(CN(C(=O)c1ccccc1Br)C1CCCC1)=NO.
What is the InChIKey of N-(2-amino-2-hydroxyiminoethyl)-2-bromo-N-cyclopentylbenzamide?
The InChIKey is LRUUPMMBXNNZEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrN3O2/c15-12-8-4-3-7-11(12)14(19)18(9-13(16)17-20)10-5-1-2-6-10/h3-4,7-8,10,20H,1-2,5-6,9H2,(H2,16,17).
What are the key properties of N-(2-amino-2-hydroxyiminoethyl)-2-bromo-N-cyclopentylbenzamide?
N-(2-amino-2-hydroxyiminoethyl)-2-bromo-N-cyclopentylbenzamide has a molecular weight of 340.22 g/mol, XLogP of 2.58, 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-cyclopentylbenzamide is sourced from PubChem (CID 77044705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).