3-(9-chloro-6-oxo-2,5-dihydro-1H-phenanthridin-4-yl)benzamide

C20H15ClN2O2 — CID 91351475

IUPAC3-(9-chloro-6-oxo-2,5-dihydro-1H-phenanthridin-4-yl)benzamide
SMILESNC(=O)c1cccc(C2=CCCc3c2[nH]c(=O)c2ccc(Cl)cc32)c1
InChIInChI=1S/C20H15ClN2O2/c21-13-7-8-16-17(10-13)15-6-2-5-14(18(15)23-20(16)25)11-3-1-4-12(9-11)19(22)24/h1,3-5,7-10H,2,6H2,(H2,22,24)(H,23,25)
InChIKeyFGQSJPDAIRLHEH-UHFFFAOYSA-N
MW350.81 g/mol
LogP3.66
Rot. Bonds2

About 3-(9-chloro-6-oxo-2,5-dihydro-1H-phenanthridin-4-yl)benzamide

3-(9-chloro-6-oxo-2,5-dihydro-1H-phenanthridin-4-yl)benzamide (PubChem CID 91351475) has the molecular formula C20H15ClN2O2 and a molecular weight of 350.81 g/mol. Its IUPAC name is 3-(9-chloro-6-oxo-2,5-dihydro-1H-phenanthridin-4-yl)benzamide.

Molecular Properties

Compound Name3-(9-chloro-6-oxo-2,5-dihydro-1H-phenanthridin-4-yl)benzamide
PubChem CID91351475
Molecular FormulaC20H15ClN2O2
Molecular Weight350.81 g/mol
Exact Mass350.08
IUPAC Name3-(9-chloro-6-oxo-2,5-dihydro-1H-phenanthridin-4-yl)benzamide
SMILESNC(=O)c1cccc(C2=CCCc3c2[nH]c(=O)c2ccc(Cl)cc32)c1
InChIInChI=1S/C20H15ClN2O2/c21-13-7-8-16-17(10-13)15-6-2-5-14(18(15)23-20(16)25)11-3-1-4-12(9-11)19(22)24/h1,3-5,7-10H,2,6H2,(H2,22,24)(H,23,25)
InChIKeyFGQSJPDAIRLHEH-UHFFFAOYSA-N
XLogP3.66
TPSA75.95 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.81
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(5-chloro-2-pyridinyl)benzamide
CID 91358917
3-(3-methyl-4-oxo-5,6,7,8-tetrahydro-2H-cyclohepta[c]pyrrol-1-yl)benzamide
CID 163322923
6-oxo-5H-phenanthridine-3-carboxamide
CID 140650320
ethane;methyl 1-(3-carbamoylphenyl)-4,7,8,9-tetrahydro-3H-benzo[7]annulene-7-carboxylate
CID 143762410
3-(2-oxo-1H-pyridin-4-yl)benzamide
CID 53217730
5,6-bis(3-chlorophenyl)-1,4-dihydropyrazine-2,3-dione
CID 132588453
3-[1-(5-chloro-6-oxo-1H-pyridin-2-yl)-2-[(2R)-5-oxopyrrolidin-2-yl]ethenyl]benzamide
CID 67400878
3-(5-chloro-1H-indol-2-yl)benzoyl chloride
CID 20556621
6-(3-chlorophenyl)-2-oxo-1H-pyridine-3-carboxamide
CID 166272958
3-[5-(4-chloroanilino)-3-pyridinyl]benzamide
CID 68952480
4-(3-carbamoylphenyl)benzoate
CID 86307207
3-[6-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]benzamide
CID 134816434

Frequently Asked Questions

What is the IUPAC name of 3-(9-chloro-6-oxo-2,5-dihydro-1H-phenanthridin-4-yl)benzamide?
The IUPAC name of 3-(9-chloro-6-oxo-2,5-dihydro-1H-phenanthridin-4-yl)benzamide (CID 91351475) is 3-(9-chloro-6-oxo-2,5-dihydro-1H-phenanthridin-4-yl)benzamide.
What is the SMILES notation for 3-(9-chloro-6-oxo-2,5-dihydro-1H-phenanthridin-4-yl)benzamide?
The canonical SMILES for 3-(9-chloro-6-oxo-2,5-dihydro-1H-phenanthridin-4-yl)benzamide is NC(=O)c1cccc(C2=CCCc3c2[nH]c(=O)c2ccc(Cl)cc32)c1.
What is the InChIKey of 3-(9-chloro-6-oxo-2,5-dihydro-1H-phenanthridin-4-yl)benzamide?
The InChIKey is FGQSJPDAIRLHEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClN2O2/c21-13-7-8-16-17(10-13)15-6-2-5-14(18(15)23-20(16)25)11-3-1-4-12(9-11)19(22)24/h1,3-5,7-10H,2,6H2,(H2,22,24)(H,23,25).
What are the key properties of 3-(9-chloro-6-oxo-2,5-dihydro-1H-phenanthridin-4-yl)benzamide?
3-(9-chloro-6-oxo-2,5-dihydro-1H-phenanthridin-4-yl)benzamide has a molecular weight of 350.81 g/mol, XLogP of 3.66, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(9-chloro-6-oxo-2,5-dihydro-1H-phenanthridin-4-yl)benzamide is sourced from PubChem (CID 91351475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).