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

C19H12ClN3O — CID 14896601

IUPAC4-chloro-N-(1,10-phenanthrolin-2-yl)benzamide
SMILESO=C(Nc1ccc2ccc3cccnc3c2n1)c1ccc(Cl)cc1
InChIInChI=1S/C19H12ClN3O/c20-15-8-5-14(6-9-15)19(24)23-16-10-7-13-4-3-12-2-1-11-21-17(12)18(13)22-16/h1-11H,(H,22,23,24)
InChIKeyZMNPBIYOWLZXCG-UHFFFAOYSA-N
MW333.78 g/mol
LogP4.69
Rot. Bonds2

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

4-chloro-N-(1,10-phenanthrolin-2-yl)benzamide (PubChem CID 14896601) has the molecular formula C19H12ClN3O and a molecular weight of 333.78 g/mol. Its IUPAC name is 4-chloro-N-(1,10-phenanthrolin-2-yl)benzamide.

Molecular Properties

Compound Name4-chloro-N-(1,10-phenanthrolin-2-yl)benzamide
PubChem CID14896601
Molecular FormulaC19H12ClN3O
Molecular Weight333.78 g/mol
Exact Mass333.07
IUPAC Name4-chloro-N-(1,10-phenanthrolin-2-yl)benzamide
SMILESO=C(Nc1ccc2ccc3cccnc3c2n1)c1ccc(Cl)cc1
InChIInChI=1S/C19H12ClN3O/c20-15-8-5-14(6-9-15)19(24)23-16-10-7-13-4-3-12-2-1-11-21-17(12)18(13)22-16/h1-11H,(H,22,23,24)
InChIKeyZMNPBIYOWLZXCG-UHFFFAOYSA-N
XLogP4.69
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.78
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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)benzamide?
The IUPAC name of 4-chloro-N-(1,10-phenanthrolin-2-yl)benzamide (CID 14896601) is 4-chloro-N-(1,10-phenanthrolin-2-yl)benzamide.
What is the SMILES notation for 4-chloro-N-(1,10-phenanthrolin-2-yl)benzamide?
The canonical SMILES for 4-chloro-N-(1,10-phenanthrolin-2-yl)benzamide is O=C(Nc1ccc2ccc3cccnc3c2n1)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-(1,10-phenanthrolin-2-yl)benzamide?
The InChIKey is ZMNPBIYOWLZXCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12ClN3O/c20-15-8-5-14(6-9-15)19(24)23-16-10-7-13-4-3-12-2-1-11-21-17(12)18(13)22-16/h1-11H,(H,22,23,24).
What are the key properties of 4-chloro-N-(1,10-phenanthrolin-2-yl)benzamide?
4-chloro-N-(1,10-phenanthrolin-2-yl)benzamide has a molecular weight of 333.78 g/mol, XLogP of 4.69, 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)benzamide is sourced from PubChem (CID 14896601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).