2-chloro-N-ethyl-4-[(3-fluorophenyl)methyl-methylamino]-N,5-dimethylbenzenecarboximidamide

C19H23ClFN3 — CID 146380942

IUPAC2-chloro-N-ethyl-4-[(3-fluorophenyl)methyl-methylamino]-N,5-dimethylbenzenecarboximidamide
SMILES[H]/N=C(/c1cc(C)c(N(C)Cc2cccc(F)c2)cc1Cl)N(C)CC
InChIInChI=1S/C19H23ClFN3/c1-5-23(3)19(22)16-9-13(2)18(11-17(16)20)24(4)12-14-7-6-8-15(21)10-14/h6-11,22H,5,12H2,1-4H3/b22-19-
InChIKeyDPFRPMCGPZZRRL-QOCHGBHMSA-N
MW347.87 g/mol
LogP4.70
Rot. Bonds5

About 2-chloro-N-ethyl-4-[(3-fluorophenyl)methyl-methylamino]-N,5-dimethylbenzenecarboximidamide

2-chloro-N-ethyl-4-[(3-fluorophenyl)methyl-methylamino]-N,5-dimethylbenzenecarboximidamide (PubChem CID 146380942) has the molecular formula C19H23ClFN3 and a molecular weight of 347.87 g/mol. Its IUPAC name is 2-chloro-N-ethyl-4-[(3-fluorophenyl)methyl-methylamino]-N,5-dimethylbenzenecarboximidamide.

Molecular Properties

Compound Name2-chloro-N-ethyl-4-[(3-fluorophenyl)methyl-methylamino]-N,5-dimethylbenzenecarboximidamide
PubChem CID146380942
Molecular FormulaC19H23ClFN3
Molecular Weight347.87 g/mol
Exact Mass347.16
IUPAC Name2-chloro-N-ethyl-4-[(3-fluorophenyl)methyl-methylamino]-N,5-dimethylbenzenecarboximidamide
SMILES[H]/N=C(/c1cc(C)c(N(C)Cc2cccc(F)c2)cc1Cl)N(C)CC
InChIInChI=1S/C19H23ClFN3/c1-5-23(3)19(22)16-9-13(2)18(11-17(16)20)24(4)12-14-7-6-8-15(21)10-14/h6-11,22H,5,12H2,1-4H3/b22-19-
InChIKeyDPFRPMCGPZZRRL-QOCHGBHMSA-N
XLogP4.70
TPSA30.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.87
LogP ≤ 54.70
H-Bond Donors ≤ 51
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-N-ethyl-4-[(3-fluorophenyl)methyl-methylamino]-N,5-dimethylbenzenecarboximidamide?
The IUPAC name of 2-chloro-N-ethyl-4-[(3-fluorophenyl)methyl-methylamino]-N,5-dimethylbenzenecarboximidamide (CID 146380942) is 2-chloro-N-ethyl-4-[(3-fluorophenyl)methyl-methylamino]-N,5-dimethylbenzenecarboximidamide.
What is the SMILES notation for 2-chloro-N-ethyl-4-[(3-fluorophenyl)methyl-methylamino]-N,5-dimethylbenzenecarboximidamide?
The canonical SMILES for 2-chloro-N-ethyl-4-[(3-fluorophenyl)methyl-methylamino]-N,5-dimethylbenzenecarboximidamide is [H]/N=C(/c1cc(C)c(N(C)Cc2cccc(F)c2)cc1Cl)N(C)CC.
What is the InChIKey of 2-chloro-N-ethyl-4-[(3-fluorophenyl)methyl-methylamino]-N,5-dimethylbenzenecarboximidamide?
The InChIKey is DPFRPMCGPZZRRL-QOCHGBHMSA-N. The full InChI is InChI=1S/C19H23ClFN3/c1-5-23(3)19(22)16-9-13(2)18(11-17(16)20)24(4)12-14-7-6-8-15(21)10-14/h6-11,22H,5,12H2,1-4H3/b22-19-.
What are the key properties of 2-chloro-N-ethyl-4-[(3-fluorophenyl)methyl-methylamino]-N,5-dimethylbenzenecarboximidamide?
2-chloro-N-ethyl-4-[(3-fluorophenyl)methyl-methylamino]-N,5-dimethylbenzenecarboximidamide has a molecular weight of 347.87 g/mol, XLogP of 4.70, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-ethyl-4-[(3-fluorophenyl)methyl-methylamino]-N,5-dimethylbenzenecarboximidamide is sourced from PubChem (CID 146380942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).