4-chloro-N'-(1,10-phenanthrolin-2-yl)benzenecarboximidamide

C19H13ClN4 — CID 14896608

IUPAC4-chloro-N'-(1,10-phenanthrolin-2-yl)benzenecarboximidamide
SMILESN/C(=N\c1ccc2ccc3cccnc3c2n1)c1ccc(Cl)cc1
InChIInChI=1S/C19H13ClN4/c20-15-8-5-14(6-9-15)19(21)24-16-10-7-13-4-3-12-2-1-11-22-17(12)18(13)23-16/h1-11H,(H2,21,23,24)
InChIKeyLATLAMTVOWKVPJ-UHFFFAOYSA-N
MW332.79 g/mol
LogP4.47
Rot. Bonds2

About 4-chloro-N'-(1,10-phenanthrolin-2-yl)benzenecarboximidamide

4-chloro-N'-(1,10-phenanthrolin-2-yl)benzenecarboximidamide (PubChem CID 14896608) has the molecular formula C19H13ClN4 and a molecular weight of 332.79 g/mol. Its IUPAC name is 4-chloro-N'-(1,10-phenanthrolin-2-yl)benzenecarboximidamide.

Molecular Properties

Compound Name4-chloro-N'-(1,10-phenanthrolin-2-yl)benzenecarboximidamide
PubChem CID14896608
Molecular FormulaC19H13ClN4
Molecular Weight332.79 g/mol
Exact Mass332.08
IUPAC Name4-chloro-N'-(1,10-phenanthrolin-2-yl)benzenecarboximidamide
SMILESN/C(=N\c1ccc2ccc3cccnc3c2n1)c1ccc(Cl)cc1
InChIInChI=1S/C19H13ClN4/c20-15-8-5-14(6-9-15)19(21)24-16-10-7-13-4-3-12-2-1-11-22-17(12)18(13)23-16/h1-11H,(H2,21,23,24)
InChIKeyLATLAMTVOWKVPJ-UHFFFAOYSA-N
XLogP4.47
TPSA64.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.79
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N'-(1,10-phenanthrolin-2-yl)benzenecarboximidamide?
The IUPAC name of 4-chloro-N'-(1,10-phenanthrolin-2-yl)benzenecarboximidamide (CID 14896608) is 4-chloro-N'-(1,10-phenanthrolin-2-yl)benzenecarboximidamide.
What is the SMILES notation for 4-chloro-N'-(1,10-phenanthrolin-2-yl)benzenecarboximidamide?
The canonical SMILES for 4-chloro-N'-(1,10-phenanthrolin-2-yl)benzenecarboximidamide is N/C(=N\c1ccc2ccc3cccnc3c2n1)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N'-(1,10-phenanthrolin-2-yl)benzenecarboximidamide?
The InChIKey is LATLAMTVOWKVPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13ClN4/c20-15-8-5-14(6-9-15)19(21)24-16-10-7-13-4-3-12-2-1-11-22-17(12)18(13)23-16/h1-11H,(H2,21,23,24).
What are the key properties of 4-chloro-N'-(1,10-phenanthrolin-2-yl)benzenecarboximidamide?
4-chloro-N'-(1,10-phenanthrolin-2-yl)benzenecarboximidamide has a molecular weight of 332.79 g/mol, XLogP of 4.47, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N'-(1,10-phenanthrolin-2-yl)benzenecarboximidamide is sourced from PubChem (CID 14896608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).