2-methyl-N-[4-(6H-phenanthridine-5-carbonyl)phenyl]benzamide

C28H22N2O2 — CID 15307971

IUPAC2-methyl-N-[4-(6H-phenanthridine-5-carbonyl)phenyl]benzamide
SMILESCc1ccccc1C(=O)Nc1ccc(C(=O)N2Cc3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C28H22N2O2/c1-19-8-2-4-10-23(19)27(31)29-22-16-14-20(15-17-22)28(32)30-18-21-9-3-5-11-24(21)25-12-6-7-13-26(25)30/h2-17H,18H2,1H3,(H,29,31)
InChIKeyAROSNMSHTYIBMN-UHFFFAOYSA-N
MW418.50 g/mol
LogP6.07
Rot. Bonds3

About 2-methyl-N-[4-(6H-phenanthridine-5-carbonyl)phenyl]benzamide

2-methyl-N-[4-(6H-phenanthridine-5-carbonyl)phenyl]benzamide (PubChem CID 15307971) has the molecular formula C28H22N2O2 and a molecular weight of 418.50 g/mol. Its IUPAC name is 2-methyl-N-[4-(6H-phenanthridine-5-carbonyl)phenyl]benzamide.

Molecular Properties

Compound Name2-methyl-N-[4-(6H-phenanthridine-5-carbonyl)phenyl]benzamide
PubChem CID15307971
Molecular FormulaC28H22N2O2
Molecular Weight418.50 g/mol
Exact Mass418.17
IUPAC Name2-methyl-N-[4-(6H-phenanthridine-5-carbonyl)phenyl]benzamide
SMILESCc1ccccc1C(=O)Nc1ccc(C(=O)N2Cc3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C28H22N2O2/c1-19-8-2-4-10-23(19)27(31)29-22-16-14-20(15-17-22)28(32)30-18-21-9-3-5-11-24(21)25-12-6-7-13-26(25)30/h2-17H,18H2,1H3,(H,29,31)
InChIKeyAROSNMSHTYIBMN-UHFFFAOYSA-N
XLogP6.07
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.50
LogP ≤ 56.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[4-(6H-phenanthridine-5-carbonyl)phenyl]benzamide?
The IUPAC name of 2-methyl-N-[4-(6H-phenanthridine-5-carbonyl)phenyl]benzamide (CID 15307971) is 2-methyl-N-[4-(6H-phenanthridine-5-carbonyl)phenyl]benzamide.
What is the SMILES notation for 2-methyl-N-[4-(6H-phenanthridine-5-carbonyl)phenyl]benzamide?
The canonical SMILES for 2-methyl-N-[4-(6H-phenanthridine-5-carbonyl)phenyl]benzamide is Cc1ccccc1C(=O)Nc1ccc(C(=O)N2Cc3ccccc3-c3ccccc32)cc1.
What is the InChIKey of 2-methyl-N-[4-(6H-phenanthridine-5-carbonyl)phenyl]benzamide?
The InChIKey is AROSNMSHTYIBMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H22N2O2/c1-19-8-2-4-10-23(19)27(31)29-22-16-14-20(15-17-22)28(32)30-18-21-9-3-5-11-24(21)25-12-6-7-13-26(25)30/h2-17H,18H2,1H3,(H,29,31).
What are the key properties of 2-methyl-N-[4-(6H-phenanthridine-5-carbonyl)phenyl]benzamide?
2-methyl-N-[4-(6H-phenanthridine-5-carbonyl)phenyl]benzamide has a molecular weight of 418.50 g/mol, XLogP of 6.07, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[4-(6H-phenanthridine-5-carbonyl)phenyl]benzamide is sourced from PubChem (CID 15307971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).