2-chloro-6-(2-fluoro-N-methylanilino)benzenecarboximidamide

C14H13ClFN3 — CID 55078952

IUPAC2-chloro-6-(2-fluoro-N-methylanilino)benzenecarboximidamide
SMILES[H]/N=C(\N)c1c(Cl)cccc1N(C)c1ccccc1F
InChIInChI=1S/C14H13ClFN3/c1-19(11-7-3-2-6-10(11)16)12-8-4-5-9(15)13(12)14(17)18/h2-8H,1H3,(H3,17,18)
InChIKeyHBNDUFVFJXSRRI-UHFFFAOYSA-N
MW277.73 g/mol
LogP3.53
Rot. Bonds3

About 2-chloro-6-(2-fluoro-N-methylanilino)benzenecarboximidamide

2-chloro-6-(2-fluoro-N-methylanilino)benzenecarboximidamide (PubChem CID 55078952) has the molecular formula C14H13ClFN3 and a molecular weight of 277.73 g/mol. Its IUPAC name is 2-chloro-6-(2-fluoro-N-methylanilino)benzenecarboximidamide.

Molecular Properties

Compound Name2-chloro-6-(2-fluoro-N-methylanilino)benzenecarboximidamide
PubChem CID55078952
Molecular FormulaC14H13ClFN3
Molecular Weight277.73 g/mol
Exact Mass277.08
IUPAC Name2-chloro-6-(2-fluoro-N-methylanilino)benzenecarboximidamide
SMILES[H]/N=C(\N)c1c(Cl)cccc1N(C)c1ccccc1F
InChIInChI=1S/C14H13ClFN3/c1-19(11-7-3-2-6-10(11)16)12-8-4-5-9(15)13(12)14(17)18/h2-8H,1H3,(H3,17,18)
InChIKeyHBNDUFVFJXSRRI-UHFFFAOYSA-N
XLogP3.53
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.73
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-(2-fluoro-N-methylanilino)benzenecarboximidamide?
The IUPAC name of 2-chloro-6-(2-fluoro-N-methylanilino)benzenecarboximidamide (CID 55078952) is 2-chloro-6-(2-fluoro-N-methylanilino)benzenecarboximidamide.
What is the SMILES notation for 2-chloro-6-(2-fluoro-N-methylanilino)benzenecarboximidamide?
The canonical SMILES for 2-chloro-6-(2-fluoro-N-methylanilino)benzenecarboximidamide is [H]/N=C(\N)c1c(Cl)cccc1N(C)c1ccccc1F.
What is the InChIKey of 2-chloro-6-(2-fluoro-N-methylanilino)benzenecarboximidamide?
The InChIKey is HBNDUFVFJXSRRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClFN3/c1-19(11-7-3-2-6-10(11)16)12-8-4-5-9(15)13(12)14(17)18/h2-8H,1H3,(H3,17,18).
What are the key properties of 2-chloro-6-(2-fluoro-N-methylanilino)benzenecarboximidamide?
2-chloro-6-(2-fluoro-N-methylanilino)benzenecarboximidamide has a molecular weight of 277.73 g/mol, XLogP of 3.53, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-(2-fluoro-N-methylanilino)benzenecarboximidamide is sourced from PubChem (CID 55078952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).