4-[(4-chlorophenyl)methyl-methylamino]-3-fluorobenzenecarboximidamide

C15H15ClFN3 — CID 61414746

IUPAC4-[(4-chlorophenyl)methyl-methylamino]-3-fluorobenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(N(C)Cc2ccc(Cl)cc2)c(F)c1
InChIInChI=1S/C15H15ClFN3/c1-20(9-10-2-5-12(16)6-3-10)14-7-4-11(15(18)19)8-13(14)17/h2-8H,9H2,1H3,(H3,18,19)
InChIKeyKHOGZUHSIOMQOY-UHFFFAOYSA-N
MW291.76 g/mol
LogP3.40
Rot. Bonds4

About 4-[(4-chlorophenyl)methyl-methylamino]-3-fluorobenzenecarboximidamide

4-[(4-chlorophenyl)methyl-methylamino]-3-fluorobenzenecarboximidamide (PubChem CID 61414746) has the molecular formula C15H15ClFN3 and a molecular weight of 291.76 g/mol. Its IUPAC name is 4-[(4-chlorophenyl)methyl-methylamino]-3-fluorobenzenecarboximidamide.

Molecular Properties

Compound Name4-[(4-chlorophenyl)methyl-methylamino]-3-fluorobenzenecarboximidamide
PubChem CID61414746
Molecular FormulaC15H15ClFN3
Molecular Weight291.76 g/mol
Exact Mass291.09
IUPAC Name4-[(4-chlorophenyl)methyl-methylamino]-3-fluorobenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(N(C)Cc2ccc(Cl)cc2)c(F)c1
InChIInChI=1S/C15H15ClFN3/c1-20(9-10-2-5-12(16)6-3-10)14-7-4-11(15(18)19)8-13(14)17/h2-8H,9H2,1H3,(H3,18,19)
InChIKeyKHOGZUHSIOMQOY-UHFFFAOYSA-N
XLogP3.40
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.76
LogP ≤ 53.40
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 4-[(4-chlorophenyl)methyl-methylamino]-3-fluorobenzenecarboximidamide?
The IUPAC name of 4-[(4-chlorophenyl)methyl-methylamino]-3-fluorobenzenecarboximidamide (CID 61414746) is 4-[(4-chlorophenyl)methyl-methylamino]-3-fluorobenzenecarboximidamide.
What is the SMILES notation for 4-[(4-chlorophenyl)methyl-methylamino]-3-fluorobenzenecarboximidamide?
The canonical SMILES for 4-[(4-chlorophenyl)methyl-methylamino]-3-fluorobenzenecarboximidamide is [H]/N=C(\N)c1ccc(N(C)Cc2ccc(Cl)cc2)c(F)c1.
What is the InChIKey of 4-[(4-chlorophenyl)methyl-methylamino]-3-fluorobenzenecarboximidamide?
The InChIKey is KHOGZUHSIOMQOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClFN3/c1-20(9-10-2-5-12(16)6-3-10)14-7-4-11(15(18)19)8-13(14)17/h2-8H,9H2,1H3,(H3,18,19).
What are the key properties of 4-[(4-chlorophenyl)methyl-methylamino]-3-fluorobenzenecarboximidamide?
4-[(4-chlorophenyl)methyl-methylamino]-3-fluorobenzenecarboximidamide has a molecular weight of 291.76 g/mol, XLogP of 3.40, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-chlorophenyl)methyl-methylamino]-3-fluorobenzenecarboximidamide is sourced from PubChem (CID 61414746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).