4-[1-(4-chlorophenyl)ethyl-methylamino]-3-fluorobenzenecarboximidamide

C16H17ClFN3 — CID 62978296

IUPAC4-[1-(4-chlorophenyl)ethyl-methylamino]-3-fluorobenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(N(C)C(C)c2ccc(Cl)cc2)c(F)c1
InChIInChI=1S/C16H17ClFN3/c1-10(11-3-6-13(17)7-4-11)21(2)15-8-5-12(16(19)20)9-14(15)18/h3-10H,1-2H3,(H3,19,20)
InChIKeyIQTMKYABQUSHEA-UHFFFAOYSA-N
MW305.78 g/mol
LogP3.96
Rot. Bonds4

About 4-[1-(4-chlorophenyl)ethyl-methylamino]-3-fluorobenzenecarboximidamide

4-[1-(4-chlorophenyl)ethyl-methylamino]-3-fluorobenzenecarboximidamide (PubChem CID 62978296) has the molecular formula C16H17ClFN3 and a molecular weight of 305.78 g/mol. Its IUPAC name is 4-[1-(4-chlorophenyl)ethyl-methylamino]-3-fluorobenzenecarboximidamide.

Molecular Properties

Compound Name4-[1-(4-chlorophenyl)ethyl-methylamino]-3-fluorobenzenecarboximidamide
PubChem CID62978296
Molecular FormulaC16H17ClFN3
Molecular Weight305.78 g/mol
Exact Mass305.11
IUPAC Name4-[1-(4-chlorophenyl)ethyl-methylamino]-3-fluorobenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(N(C)C(C)c2ccc(Cl)cc2)c(F)c1
InChIInChI=1S/C16H17ClFN3/c1-10(11-3-6-13(17)7-4-11)21(2)15-8-5-12(16(19)20)9-14(15)18/h3-10H,1-2H3,(H3,19,20)
InChIKeyIQTMKYABQUSHEA-UHFFFAOYSA-N
XLogP3.96
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.78
LogP ≤ 53.96
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'}

Analyze 4-[1-(4-chlorophenyl)ethyl-methylamino]-3-fluorobenzenecarboximidamide 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 4-[1-(4-chlorophenyl)ethyl-methylamino]-3-fluorobenzenecarboximidamide?
The IUPAC name of 4-[1-(4-chlorophenyl)ethyl-methylamino]-3-fluorobenzenecarboximidamide (CID 62978296) is 4-[1-(4-chlorophenyl)ethyl-methylamino]-3-fluorobenzenecarboximidamide.
What is the SMILES notation for 4-[1-(4-chlorophenyl)ethyl-methylamino]-3-fluorobenzenecarboximidamide?
The canonical SMILES for 4-[1-(4-chlorophenyl)ethyl-methylamino]-3-fluorobenzenecarboximidamide is [H]/N=C(\N)c1ccc(N(C)C(C)c2ccc(Cl)cc2)c(F)c1.
What is the InChIKey of 4-[1-(4-chlorophenyl)ethyl-methylamino]-3-fluorobenzenecarboximidamide?
The InChIKey is IQTMKYABQUSHEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClFN3/c1-10(11-3-6-13(17)7-4-11)21(2)15-8-5-12(16(19)20)9-14(15)18/h3-10H,1-2H3,(H3,19,20).
What are the key properties of 4-[1-(4-chlorophenyl)ethyl-methylamino]-3-fluorobenzenecarboximidamide?
4-[1-(4-chlorophenyl)ethyl-methylamino]-3-fluorobenzenecarboximidamide has a molecular weight of 305.78 g/mol, XLogP of 3.96, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(4-chlorophenyl)ethyl-methylamino]-3-fluorobenzenecarboximidamide is sourced from PubChem (CID 62978296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).