3,4-dichloro-N-(1,10-phenanthrolin-2-yl)benzamide

C19H11Cl2N3O — CID 14896602

IUPAC3,4-dichloro-N-(1,10-phenanthrolin-2-yl)benzamide
SMILESO=C(Nc1ccc2ccc3cccnc3c2n1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C19H11Cl2N3O/c20-14-7-5-13(10-15(14)21)19(25)24-16-8-6-12-4-3-11-2-1-9-22-17(11)18(12)23-16/h1-10H,(H,23,24,25)
InChIKeyCOHQECSXMFWWRZ-UHFFFAOYSA-N
MW368.22 g/mol
LogP5.34
Rot. Bonds2

About 3,4-dichloro-N-(1,10-phenanthrolin-2-yl)benzamide

3,4-dichloro-N-(1,10-phenanthrolin-2-yl)benzamide (PubChem CID 14896602) has the molecular formula C19H11Cl2N3O and a molecular weight of 368.22 g/mol. Its IUPAC name is 3,4-dichloro-N-(1,10-phenanthrolin-2-yl)benzamide.

Molecular Properties

Compound Name3,4-dichloro-N-(1,10-phenanthrolin-2-yl)benzamide
PubChem CID14896602
Molecular FormulaC19H11Cl2N3O
Molecular Weight368.22 g/mol
Exact Mass367.03
IUPAC Name3,4-dichloro-N-(1,10-phenanthrolin-2-yl)benzamide
SMILESO=C(Nc1ccc2ccc3cccnc3c2n1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C19H11Cl2N3O/c20-14-7-5-13(10-15(14)21)19(25)24-16-8-6-12-4-3-11-2-1-9-22-17(11)18(12)23-16/h1-10H,(H,23,24,25)
InChIKeyCOHQECSXMFWWRZ-UHFFFAOYSA-N
XLogP5.34
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.22
LogP ≤ 55.34
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 3,4-dichloro-N-(1,10-phenanthrolin-2-yl)benzamide?
The IUPAC name of 3,4-dichloro-N-(1,10-phenanthrolin-2-yl)benzamide (CID 14896602) is 3,4-dichloro-N-(1,10-phenanthrolin-2-yl)benzamide.
What is the SMILES notation for 3,4-dichloro-N-(1,10-phenanthrolin-2-yl)benzamide?
The canonical SMILES for 3,4-dichloro-N-(1,10-phenanthrolin-2-yl)benzamide is O=C(Nc1ccc2ccc3cccnc3c2n1)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 3,4-dichloro-N-(1,10-phenanthrolin-2-yl)benzamide?
The InChIKey is COHQECSXMFWWRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11Cl2N3O/c20-14-7-5-13(10-15(14)21)19(25)24-16-8-6-12-4-3-11-2-1-9-22-17(11)18(12)23-16/h1-10H,(H,23,24,25).
What are the key properties of 3,4-dichloro-N-(1,10-phenanthrolin-2-yl)benzamide?
3,4-dichloro-N-(1,10-phenanthrolin-2-yl)benzamide has a molecular weight of 368.22 g/mol, XLogP of 5.34, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-N-(1,10-phenanthrolin-2-yl)benzamide is sourced from PubChem (CID 14896602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).