N'-cyclopropyl-5-fluoro-2-methylbenzenecarboximidamide

C11H13FN2 — CID 63182121

IUPACN'-cyclopropyl-5-fluoro-2-methylbenzenecarboximidamide
SMILESCc1ccc(F)cc1/C(N)=N/C1CC1
InChIInChI=1S/C11H13FN2/c1-7-2-3-8(12)6-10(7)11(13)14-9-4-5-9/h2-3,6,9H,4-5H2,1H3,(H2,13,14)
InChIKeyKVYXTURKYFZVMV-UHFFFAOYSA-N
MW192.24 g/mol
LogP2.00
Rot. Bonds2

About N'-cyclopropyl-5-fluoro-2-methylbenzenecarboximidamide

N'-cyclopropyl-5-fluoro-2-methylbenzenecarboximidamide (PubChem CID 63182121) has the molecular formula C11H13FN2 and a molecular weight of 192.24 g/mol. Its IUPAC name is N'-cyclopropyl-5-fluoro-2-methylbenzenecarboximidamide.

Molecular Properties

Compound NameN'-cyclopropyl-5-fluoro-2-methylbenzenecarboximidamide
PubChem CID63182121
Molecular FormulaC11H13FN2
Molecular Weight192.24 g/mol
Exact Mass192.11
IUPAC NameN'-cyclopropyl-5-fluoro-2-methylbenzenecarboximidamide
SMILESCc1ccc(F)cc1/C(N)=N/C1CC1
InChIInChI=1S/C11H13FN2/c1-7-2-3-8(12)6-10(7)11(13)14-9-4-5-9/h2-3,6,9H,4-5H2,1H3,(H2,13,14)
InChIKeyKVYXTURKYFZVMV-UHFFFAOYSA-N
XLogP2.00
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.24
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze N'-cyclopropyl-5-fluoro-2-methylbenzenecarboximidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N'-cyclopropyl-5-fluoro-2-methylbenzenecarboximidamide?
The IUPAC name of N'-cyclopropyl-5-fluoro-2-methylbenzenecarboximidamide (CID 63182121) is N'-cyclopropyl-5-fluoro-2-methylbenzenecarboximidamide.
What is the SMILES notation for N'-cyclopropyl-5-fluoro-2-methylbenzenecarboximidamide?
The canonical SMILES for N'-cyclopropyl-5-fluoro-2-methylbenzenecarboximidamide is Cc1ccc(F)cc1/C(N)=N/C1CC1.
What is the InChIKey of N'-cyclopropyl-5-fluoro-2-methylbenzenecarboximidamide?
The InChIKey is KVYXTURKYFZVMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN2/c1-7-2-3-8(12)6-10(7)11(13)14-9-4-5-9/h2-3,6,9H,4-5H2,1H3,(H2,13,14).
What are the key properties of N'-cyclopropyl-5-fluoro-2-methylbenzenecarboximidamide?
N'-cyclopropyl-5-fluoro-2-methylbenzenecarboximidamide has a molecular weight of 192.24 g/mol, XLogP of 2.00, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclopropyl-5-fluoro-2-methylbenzenecarboximidamide is sourced from PubChem (CID 63182121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).