5-fluoro-N-(4-hydroxy-9,10-dioxoanthracen-1-yl)-1H-indole-2-carboxamide

C23H13FN2O4 — CID 71816545

IUPAC5-fluoro-N-(4-hydroxy-9,10-dioxoanthracen-1-yl)-1H-indole-2-carboxamide
SMILESO=C(Nc1ccc(O)c2c1C(=O)c1ccccc1C2=O)c1cc2cc(F)ccc2[nH]1
InChIInChI=1S/C23H13FN2O4/c24-12-5-6-15-11(9-12)10-17(25-15)23(30)26-16-7-8-18(27)20-19(16)21(28)13-3-1-2-4-14(13)22(20)29/h1-10,25,27H,(H,26,30)
InChIKeyZMKCQAZDQPEQKN-UHFFFAOYSA-N
MW400.37 g/mol
LogP4.04
Rot. Bonds2

About 5-fluoro-N-(4-hydroxy-9,10-dioxoanthracen-1-yl)-1H-indole-2-carboxamide

5-fluoro-N-(4-hydroxy-9,10-dioxoanthracen-1-yl)-1H-indole-2-carboxamide (PubChem CID 71816545) has the molecular formula C23H13FN2O4 and a molecular weight of 400.37 g/mol. Its IUPAC name is 5-fluoro-N-(4-hydroxy-9,10-dioxoanthracen-1-yl)-1H-indole-2-carboxamide.

Molecular Properties

Compound Name5-fluoro-N-(4-hydroxy-9,10-dioxoanthracen-1-yl)-1H-indole-2-carboxamide
PubChem CID71816545
Molecular FormulaC23H13FN2O4
Molecular Weight400.37 g/mol
Exact Mass400.09
IUPAC Name5-fluoro-N-(4-hydroxy-9,10-dioxoanthracen-1-yl)-1H-indole-2-carboxamide
SMILESO=C(Nc1ccc(O)c2c1C(=O)c1ccccc1C2=O)c1cc2cc(F)ccc2[nH]1
InChIInChI=1S/C23H13FN2O4/c24-12-5-6-15-11(9-12)10-17(25-15)23(30)26-16-7-8-18(27)20-19(16)21(28)13-3-1-2-4-14(13)22(20)29/h1-10,25,27H,(H,26,30)
InChIKeyZMKCQAZDQPEQKN-UHFFFAOYSA-N
XLogP4.04
TPSA99.26 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.37
LogP ≤ 54.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

9-(4-fluoro-3-methylphenyl)-2-hydroxy-6,11-dihydro-5H-benzo[a]carbazole-3-carboxylic acid
CID 16048126
1,8-dihydroxy-10-(1H-indole-2-carbonyl)-10H-anthracen-9-one
CID 9929235
4-(2-fluorophenyl)-9-hydroxypyrrolo[3,4-c]carbazole-1,3(2H,6H)-dione
CID 11842997
4-(3-fluorophenyl)-9-hydroxypyrrolo[3,4-c]carbazole-1,3(2H,6H)-dione
CID 11844612
11-hydroxybenzo(a)pyrrolo(3,4-c)carbazole-1,3,4,7(2H,8H)-tetraone
CID 17759426
Utahmycin B
CID 46830523
4-(4-fluorophenyl)-9-hydroxypyrrolo[3,4-c]carbazole-1,3(2H,6H)-dione
CID 11843148
10-hydroxy-5H-benzo[b]carbazole-6,11-dione
CID 13638985
(2E)-N-(4-fluorophenyl)-2-hydroxy-2-(2-oxo-1,2-dihydro-3H-indol-3-ylidene)ethanamide
CID 866347
N-(3-fluorophenyl)-2-(2-hydroxy-1H-indol-3-yl)-2-oxoacetamide
CID 5079872
N-(3-fluorophenyl)-5-hydroxy-1H-indole-2-carboxamide
CID 10199304
N-(5-hydroxynaphthalen-1-yl)-2-(1H-indol-3-yl)-2-oxoacetamide
CID 44597740

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-(4-hydroxy-9,10-dioxoanthracen-1-yl)-1H-indole-2-carboxamide?
The IUPAC name of 5-fluoro-N-(4-hydroxy-9,10-dioxoanthracen-1-yl)-1H-indole-2-carboxamide (CID 71816545) is 5-fluoro-N-(4-hydroxy-9,10-dioxoanthracen-1-yl)-1H-indole-2-carboxamide.
What is the SMILES notation for 5-fluoro-N-(4-hydroxy-9,10-dioxoanthracen-1-yl)-1H-indole-2-carboxamide?
The canonical SMILES for 5-fluoro-N-(4-hydroxy-9,10-dioxoanthracen-1-yl)-1H-indole-2-carboxamide is O=C(Nc1ccc(O)c2c1C(=O)c1ccccc1C2=O)c1cc2cc(F)ccc2[nH]1.
What is the InChIKey of 5-fluoro-N-(4-hydroxy-9,10-dioxoanthracen-1-yl)-1H-indole-2-carboxamide?
The InChIKey is ZMKCQAZDQPEQKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H13FN2O4/c24-12-5-6-15-11(9-12)10-17(25-15)23(30)26-16-7-8-18(27)20-19(16)21(28)13-3-1-2-4-14(13)22(20)29/h1-10,25,27H,(H,26,30).
What are the key properties of 5-fluoro-N-(4-hydroxy-9,10-dioxoanthracen-1-yl)-1H-indole-2-carboxamide?
5-fluoro-N-(4-hydroxy-9,10-dioxoanthracen-1-yl)-1H-indole-2-carboxamide has a molecular weight of 400.37 g/mol, XLogP of 4.04, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-(4-hydroxy-9,10-dioxoanthracen-1-yl)-1H-indole-2-carboxamide is sourced from PubChem (CID 71816545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).