2-[(Z)-3-amino-3-cyclopentylprop-2-enimidoyl]-3-fluoro-N-(2-methoxypropyl)benzamide

C19H26FN3O2 — CID 145217724

IUPAC2-[(Z)-3-amino-3-cyclopentylprop-2-enimidoyl]-3-fluoro-N-(2-methoxypropyl)benzamide
SMILES[H]/N=C(\C=C(/N)C1CCCC1)c1c(F)cccc1C(=O)NCC(C)OC
InChIInChI=1S/C19H26FN3O2/c1-12(25-2)11-23-19(24)14-8-5-9-15(20)18(14)17(22)10-16(21)13-6-3-4-7-13/h5,8-10,12-13,22H,3-4,6-7,11,21H2,1-2H3,(H,23,24)/b16-10-,22-17+
InChIKeyJMBZJSHEMYSHNX-KRJSPPKTSA-N
MW347.43 g/mol
LogP2.99
Rot. Bonds7

About 2-[(Z)-3-amino-3-cyclopentylprop-2-enimidoyl]-3-fluoro-N-(2-methoxypropyl)benzamide

2-[(Z)-3-amino-3-cyclopentylprop-2-enimidoyl]-3-fluoro-N-(2-methoxypropyl)benzamide (PubChem CID 145217724) has the molecular formula C19H26FN3O2 and a molecular weight of 347.43 g/mol. Its IUPAC name is 2-[(Z)-3-amino-3-cyclopentylprop-2-enimidoyl]-3-fluoro-N-(2-methoxypropyl)benzamide.

Molecular Properties

Compound Name2-[(Z)-3-amino-3-cyclopentylprop-2-enimidoyl]-3-fluoro-N-(2-methoxypropyl)benzamide
PubChem CID145217724
Molecular FormulaC19H26FN3O2
Molecular Weight347.43 g/mol
Exact Mass347.20
IUPAC Name2-[(Z)-3-amino-3-cyclopentylprop-2-enimidoyl]-3-fluoro-N-(2-methoxypropyl)benzamide
SMILES[H]/N=C(\C=C(/N)C1CCCC1)c1c(F)cccc1C(=O)NCC(C)OC
InChIInChI=1S/C19H26FN3O2/c1-12(25-2)11-23-19(24)14-8-5-9-15(20)18(14)17(22)10-16(21)13-6-3-4-7-13/h5,8-10,12-13,22H,3-4,6-7,11,21H2,1-2H3,(H,23,24)/b16-10-,22-17+
InChIKeyJMBZJSHEMYSHNX-KRJSPPKTSA-N
XLogP2.99
TPSA88.20 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.43
LogP ≤ 52.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-3-amino-3-cyclopentylprop-2-enimidoyl]-3-fluoro-N-(2-methoxypropyl)benzamide?
The IUPAC name of 2-[(Z)-3-amino-3-cyclopentylprop-2-enimidoyl]-3-fluoro-N-(2-methoxypropyl)benzamide (CID 145217724) is 2-[(Z)-3-amino-3-cyclopentylprop-2-enimidoyl]-3-fluoro-N-(2-methoxypropyl)benzamide.
What is the SMILES notation for 2-[(Z)-3-amino-3-cyclopentylprop-2-enimidoyl]-3-fluoro-N-(2-methoxypropyl)benzamide?
The canonical SMILES for 2-[(Z)-3-amino-3-cyclopentylprop-2-enimidoyl]-3-fluoro-N-(2-methoxypropyl)benzamide is [H]/N=C(\C=C(/N)C1CCCC1)c1c(F)cccc1C(=O)NCC(C)OC.
What is the InChIKey of 2-[(Z)-3-amino-3-cyclopentylprop-2-enimidoyl]-3-fluoro-N-(2-methoxypropyl)benzamide?
The InChIKey is JMBZJSHEMYSHNX-KRJSPPKTSA-N. The full InChI is InChI=1S/C19H26FN3O2/c1-12(25-2)11-23-19(24)14-8-5-9-15(20)18(14)17(22)10-16(21)13-6-3-4-7-13/h5,8-10,12-13,22H,3-4,6-7,11,21H2,1-2H3,(H,23,24)/b16-10-,22-17+.
What are the key properties of 2-[(Z)-3-amino-3-cyclopentylprop-2-enimidoyl]-3-fluoro-N-(2-methoxypropyl)benzamide?
2-[(Z)-3-amino-3-cyclopentylprop-2-enimidoyl]-3-fluoro-N-(2-methoxypropyl)benzamide has a molecular weight of 347.43 g/mol, XLogP of 2.99, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-3-amino-3-cyclopentylprop-2-enimidoyl]-3-fluoro-N-(2-methoxypropyl)benzamide is sourced from PubChem (CID 145217724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).