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

C27H18Cl2N2O2 — CID 70059373

IUPAC2,4-dichloro-N-[4-(6H-phenanthridine-5-carbonyl)phenyl]benzamide
SMILESO=C(Nc1ccc(C(=O)N2Cc3ccccc3-c3ccccc32)cc1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C27H18Cl2N2O2/c28-19-11-14-23(24(29)15-19)26(32)30-20-12-9-17(10-13-20)27(33)31-16-18-5-1-2-6-21(18)22-7-3-4-8-25(22)31/h1-15H,16H2,(H,30,32)
InChIKeyJCPYAUIRNVJMJE-UHFFFAOYSA-N
MW473.36 g/mol
LogP7.07
Rot. Bonds3

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

2,4-dichloro-N-[4-(6H-phenanthridine-5-carbonyl)phenyl]benzamide (PubChem CID 70059373) has the molecular formula C27H18Cl2N2O2 and a molecular weight of 473.36 g/mol. Its IUPAC name is 2,4-dichloro-N-[4-(6H-phenanthridine-5-carbonyl)phenyl]benzamide.

Molecular Properties

Compound Name2,4-dichloro-N-[4-(6H-phenanthridine-5-carbonyl)phenyl]benzamide
PubChem CID70059373
Molecular FormulaC27H18Cl2N2O2
Molecular Weight473.36 g/mol
Exact Mass472.07
IUPAC Name2,4-dichloro-N-[4-(6H-phenanthridine-5-carbonyl)phenyl]benzamide
SMILESO=C(Nc1ccc(C(=O)N2Cc3ccccc3-c3ccccc32)cc1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C27H18Cl2N2O2/c28-19-11-14-23(24(29)15-19)26(32)30-20-12-9-17(10-13-20)27(33)31-16-18-5-1-2-6-21(18)22-7-3-4-8-25(22)31/h1-15H,16H2,(H,30,32)
InChIKeyJCPYAUIRNVJMJE-UHFFFAOYSA-N
XLogP7.07
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.36
LogP ≤ 57.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-4-(6H-phenanthridine-5-carbonyl)-N-phenylbenzamide
CID 70059578
2,4-dichloro-N-[4-[9-(2,2,2-trifluoroacetyl)-6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepine-5-carbonyl]phenyl]benzamide
CID 139660674
N-[4-(2-chloro-6,11-dihydrobenzo[c][1]benzazepine-5-carbonyl)phenyl]-2,4-dimethylbenzamide
CID 67624769
2,3-dichloro-N-[4-(6,11-dihydrobenzo[c][1]benzazepine-5-carbonyl)phenyl]benzamide
CID 67625330
N-[4-(8-chloro-6H-benzo[b][1,4]benzoxazepine-5-carbonyl)phenyl]-2,3-dimethylbenzamide
CID 67624740
2,5-dichloro-N-[4-(5,6-dihydrobenzo[b][1,4]benzodiazepine-11-carbonyl)phenyl]benzamide
CID 67624349
2,4-dichloro-N-[2-chloro-4-(6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepine-5-carbonyl)phenyl]benzamide
CID 70344026
2,4-dichloro-N-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]benzamide
CID 1010318
2,4-dichloro-N-[4-(8-oxo-6,7-dihydro-5H-thieno[3,2-b]azepine-4-carbonyl)phenyl]benzamide
CID 21467147
2,5-dichloro-N-[4-(6,7-dihydropyrrolo[1,2-a][1,5]benzodiazepine-5-carbonyl)phenyl]benzamide
CID 57071075
N-[4-(4-benzoylpiperazin-1-yl)-3-chlorophenyl]-2,4-dichlorobenzamide
CID 3338645
N-[4-(2-benzamidoethylcarbamoyl)phenyl]-2,4-dichlorobenzamide
CID 121063142

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-[4-(6H-phenanthridine-5-carbonyl)phenyl]benzamide?
The IUPAC name of 2,4-dichloro-N-[4-(6H-phenanthridine-5-carbonyl)phenyl]benzamide (CID 70059373) is 2,4-dichloro-N-[4-(6H-phenanthridine-5-carbonyl)phenyl]benzamide.
What is the SMILES notation for 2,4-dichloro-N-[4-(6H-phenanthridine-5-carbonyl)phenyl]benzamide?
The canonical SMILES for 2,4-dichloro-N-[4-(6H-phenanthridine-5-carbonyl)phenyl]benzamide is O=C(Nc1ccc(C(=O)N2Cc3ccccc3-c3ccccc32)cc1)c1ccc(Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-N-[4-(6H-phenanthridine-5-carbonyl)phenyl]benzamide?
The InChIKey is JCPYAUIRNVJMJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H18Cl2N2O2/c28-19-11-14-23(24(29)15-19)26(32)30-20-12-9-17(10-13-20)27(33)31-16-18-5-1-2-6-21(18)22-7-3-4-8-25(22)31/h1-15H,16H2,(H,30,32).
What are the key properties of 2,4-dichloro-N-[4-(6H-phenanthridine-5-carbonyl)phenyl]benzamide?
2,4-dichloro-N-[4-(6H-phenanthridine-5-carbonyl)phenyl]benzamide has a molecular weight of 473.36 g/mol, XLogP of 7.07, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-[4-(6H-phenanthridine-5-carbonyl)phenyl]benzamide is sourced from PubChem (CID 70059373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).