2-fluoro-N-[(E)-(3-methylcyclopent-2-en-1-ylidene)amino]benzamide

C13H13FN2O — CID 7529998

IUPAC2-fluoro-N-[(E)-(3-methylcyclopent-2-en-1-ylidene)amino]benzamide
SMILESCC1=C/C(=N/NC(=O)c2ccccc2F)CC1
InChIInChI=1S/C13H13FN2O/c1-9-6-7-10(8-9)15-16-13(17)11-4-2-3-5-12(11)14/h2-5,8H,6-7H2,1H3,(H,16,17)/b15-10+
InChIKeyRTLWTJAKQJULDP-XNTDXEJSSA-N
MW232.26 g/mol
LogP2.65
Rot. Bonds2

About 2-fluoro-N-[(E)-(3-methylcyclopent-2-en-1-ylidene)amino]benzamide

2-fluoro-N-[(E)-(3-methylcyclopent-2-en-1-ylidene)amino]benzamide (PubChem CID 7529998) has the molecular formula C13H13FN2O and a molecular weight of 232.26 g/mol. Its IUPAC name is 2-fluoro-N-[(E)-(3-methylcyclopent-2-en-1-ylidene)amino]benzamide.

Molecular Properties

Compound Name2-fluoro-N-[(E)-(3-methylcyclopent-2-en-1-ylidene)amino]benzamide
PubChem CID7529998
Molecular FormulaC13H13FN2O
Molecular Weight232.26 g/mol
Exact Mass232.10
IUPAC Name2-fluoro-N-[(E)-(3-methylcyclopent-2-en-1-ylidene)amino]benzamide
SMILESCC1=C/C(=N/NC(=O)c2ccccc2F)CC1
InChIInChI=1S/C13H13FN2O/c1-9-6-7-10(8-9)15-16-13(17)11-4-2-3-5-12(11)14/h2-5,8H,6-7H2,1H3,(H,16,17)/b15-10+
InChIKeyRTLWTJAKQJULDP-XNTDXEJSSA-N
XLogP2.65
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.26
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[(E)-(3-methylcyclopent-2-en-1-ylidene)amino]benzamide?
The IUPAC name of 2-fluoro-N-[(E)-(3-methylcyclopent-2-en-1-ylidene)amino]benzamide (CID 7529998) is 2-fluoro-N-[(E)-(3-methylcyclopent-2-en-1-ylidene)amino]benzamide.
What is the SMILES notation for 2-fluoro-N-[(E)-(3-methylcyclopent-2-en-1-ylidene)amino]benzamide?
The canonical SMILES for 2-fluoro-N-[(E)-(3-methylcyclopent-2-en-1-ylidene)amino]benzamide is CC1=C/C(=N/NC(=O)c2ccccc2F)CC1.
What is the InChIKey of 2-fluoro-N-[(E)-(3-methylcyclopent-2-en-1-ylidene)amino]benzamide?
The InChIKey is RTLWTJAKQJULDP-XNTDXEJSSA-N. The full InChI is InChI=1S/C13H13FN2O/c1-9-6-7-10(8-9)15-16-13(17)11-4-2-3-5-12(11)14/h2-5,8H,6-7H2,1H3,(H,16,17)/b15-10+.
What are the key properties of 2-fluoro-N-[(E)-(3-methylcyclopent-2-en-1-ylidene)amino]benzamide?
2-fluoro-N-[(E)-(3-methylcyclopent-2-en-1-ylidene)amino]benzamide has a molecular weight of 232.26 g/mol, XLogP of 2.65, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[(E)-(3-methylcyclopent-2-en-1-ylidene)amino]benzamide is sourced from PubChem (CID 7529998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).