N-[(2Z)-2-amino-2-hydroxyiminoethyl]-N-cyclopentyl-2-fluoro-3-methylbenzamide

C15H20FN3O2 — CID 81479946

IUPACN-[(2Z)-2-amino-2-hydroxyiminoethyl]-N-cyclopentyl-2-fluoro-3-methylbenzamide
SMILESCc1cccc(C(=O)N(C/C(N)=N/O)C2CCCC2)c1F
InChIInChI=1S/C15H20FN3O2/c1-10-5-4-8-12(14(10)16)15(20)19(9-13(17)18-21)11-6-2-3-7-11/h4-5,8,11,21H,2-3,6-7,9H2,1H3,(H2,17,18)
InChIKeyYEISFARLRCBDLT-UHFFFAOYSA-N
MW293.34 g/mol
LogP2.27
Rot. Bonds4

About N-[(2Z)-2-amino-2-hydroxyiminoethyl]-N-cyclopentyl-2-fluoro-3-methylbenzamide

N-[(2Z)-2-amino-2-hydroxyiminoethyl]-N-cyclopentyl-2-fluoro-3-methylbenzamide (PubChem CID 81479946) has the molecular formula C15H20FN3O2 and a molecular weight of 293.34 g/mol. Its IUPAC name is N-[(2Z)-2-amino-2-hydroxyiminoethyl]-N-cyclopentyl-2-fluoro-3-methylbenzamide.

Molecular Properties

Compound NameN-[(2Z)-2-amino-2-hydroxyiminoethyl]-N-cyclopentyl-2-fluoro-3-methylbenzamide
PubChem CID81479946
Molecular FormulaC15H20FN3O2
Molecular Weight293.34 g/mol
Exact Mass293.15
IUPAC NameN-[(2Z)-2-amino-2-hydroxyiminoethyl]-N-cyclopentyl-2-fluoro-3-methylbenzamide
SMILESCc1cccc(C(=O)N(C/C(N)=N/O)C2CCCC2)c1F
InChIInChI=1S/C15H20FN3O2/c1-10-5-4-8-12(14(10)16)15(20)19(9-13(17)18-21)11-6-2-3-7-11/h4-5,8,11,21H,2-3,6-7,9H2,1H3,(H2,17,18)
InChIKeyYEISFARLRCBDLT-UHFFFAOYSA-N
XLogP2.27
TPSA78.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.34
LogP ≤ 52.27
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)-N-cyclopentyl-2-methoxybenzamide
CID 77044490
N-(2-amino-2-hydroxyiminoethyl)-N-cyclopentyl-2-methylfuran-3-carboxamide
CID 77044866
N-(2-amino-2-hydroxyiminoethyl)-N-cyclopentyl-6-methylpyridine-2-carboxamide
CID 77044653
N-(2-amino-2-hydroxyiminoethyl)-2-bromo-N-cyclopentyl-5-fluorobenzamide
CID 77038165
N-(2-amino-2-hydroxyiminoethyl)-N-cyclopentyl-2-methoxypyridine-3-carboxamide
CID 77037925
N-(2-amino-2-hydroxyiminoethyl)-N-cyclopentyl-2,5-dimethylfuran-3-carboxamide
CID 77038100
N-(2-amino-2-sulfanylideneethyl)-3-bromo-N-cyclopentyl-2-fluorobenzamide
CID 107951244
N-(3-amino-3-hydroxyiminopropyl)-N-cyclopropyl-2,3-dimethylbenzamide
CID 76911641
N-(2-amino-2-hydroxyiminoethyl)-5-chloro-N-cyclopentyl-2-hydroxybenzamide
CID 77038093
N-ethyl-2-fluoro-3-methyl-N-piperidin-4-ylbenzamide
CID 81477812
N-(2-amino-2-oxoethyl)-2-fluoro-N,3-dimethylbenzamide
CID 80718993

Frequently Asked Questions

What is the IUPAC name of N-[(2Z)-2-amino-2-hydroxyiminoethyl]-N-cyclopentyl-2-fluoro-3-methylbenzamide?
The IUPAC name of N-[(2Z)-2-amino-2-hydroxyiminoethyl]-N-cyclopentyl-2-fluoro-3-methylbenzamide (CID 81479946) is N-[(2Z)-2-amino-2-hydroxyiminoethyl]-N-cyclopentyl-2-fluoro-3-methylbenzamide.
What is the SMILES notation for N-[(2Z)-2-amino-2-hydroxyiminoethyl]-N-cyclopentyl-2-fluoro-3-methylbenzamide?
The canonical SMILES for N-[(2Z)-2-amino-2-hydroxyiminoethyl]-N-cyclopentyl-2-fluoro-3-methylbenzamide is Cc1cccc(C(=O)N(C/C(N)=N/O)C2CCCC2)c1F.
What is the InChIKey of N-[(2Z)-2-amino-2-hydroxyiminoethyl]-N-cyclopentyl-2-fluoro-3-methylbenzamide?
The InChIKey is YEISFARLRCBDLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN3O2/c1-10-5-4-8-12(14(10)16)15(20)19(9-13(17)18-21)11-6-2-3-7-11/h4-5,8,11,21H,2-3,6-7,9H2,1H3,(H2,17,18).
What are the key properties of N-[(2Z)-2-amino-2-hydroxyiminoethyl]-N-cyclopentyl-2-fluoro-3-methylbenzamide?
N-[(2Z)-2-amino-2-hydroxyiminoethyl]-N-cyclopentyl-2-fluoro-3-methylbenzamide has a molecular weight of 293.34 g/mol, XLogP of 2.27, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2Z)-2-amino-2-hydroxyiminoethyl]-N-cyclopentyl-2-fluoro-3-methylbenzamide is sourced from PubChem (CID 81479946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).