N-naphthalen-1-yl-9,10-dioxoanthracene-2-carboxamide

C25H15NO3 — CID 102214638

IUPACN-naphthalen-1-yl-9,10-dioxoanthracene-2-carboxamide
SMILESO=C(Nc1cccc2ccccc12)c1ccc2c(c1)C(=O)c1ccccc1C2=O
InChIInChI=1S/C25H15NO3/c27-23-18-9-3-4-10-19(18)24(28)21-14-16(12-13-20(21)23)25(29)26-22-11-5-7-15-6-1-2-8-17(15)22/h1-14H,(H,26,29)
InChIKeyWPWJVQHTAQCYLJ-UHFFFAOYSA-N
MW377.40 g/mol
LogP4.87
Rot. Bonds2

About N-naphthalen-1-yl-9,10-dioxoanthracene-2-carboxamide

N-naphthalen-1-yl-9,10-dioxoanthracene-2-carboxamide (PubChem CID 102214638) has the molecular formula C25H15NO3 and a molecular weight of 377.40 g/mol. Its IUPAC name is N-naphthalen-1-yl-9,10-dioxoanthracene-2-carboxamide.

Molecular Properties

Compound NameN-naphthalen-1-yl-9,10-dioxoanthracene-2-carboxamide
PubChem CID102214638
Molecular FormulaC25H15NO3
Molecular Weight377.40 g/mol
Exact Mass377.11
IUPAC NameN-naphthalen-1-yl-9,10-dioxoanthracene-2-carboxamide
SMILESO=C(Nc1cccc2ccccc12)c1ccc2c(c1)C(=O)c1ccccc1C2=O
InChIInChI=1S/C25H15NO3/c27-23-18-9-3-4-10-19(18)24(28)21-14-16(12-13-20(21)23)25(29)26-22-11-5-7-15-6-1-2-8-17(15)22/h1-14H,(H,26,29)
InChIKeyWPWJVQHTAQCYLJ-UHFFFAOYSA-N
XLogP4.87
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.40
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-fluorophenyl)-9-oxofluorene-2-carboxamide
CID 42064694
9,10-dioxo-N-[2-(4-oxo-3,1-benzoxazin-2-yl)phenyl]anthracene-2-carboxamide
CID 143844115
N-(9,10-dioxoanthracen-2-yl)-9,10-dioxoanthracene-2-carboxamide
CID 122363971
ethyl N-[2-methyl-3-[(9-oxofluorene-2-carbonyl)amino]phenyl]carbamate
CID 87043179
N-naphthalen-1-yl-4-sulfanylbenzamide
CID 107019782
3-[(9,10-dioxoanthracene-2-carbonyl)amino]propanoic acid
CID 72725647
N-naphthalen-1-yldibenzofuran-2-carboxamide
CID 18876147
N-naphthalen-1-yl-3-(propanoylamino)benzamide
CID 51179801
N-naphthalen-1-yl-4-propan-2-ylsulfonylbenzamide
CID 41148682
N-naphthalen-1-yl-2-oxo-3H-1,3-benzoxazole-5-carboxamide
CID 46862145
4-[(9,10-dioxoanthracene-2-carbonyl)amino]benzoic acid
CID 155606415
N-ethyl-9,10-dioxoanthracene-2-carboxamide
CID 102014872

Frequently Asked Questions

What is the IUPAC name of N-naphthalen-1-yl-9,10-dioxoanthracene-2-carboxamide?
The IUPAC name of N-naphthalen-1-yl-9,10-dioxoanthracene-2-carboxamide (CID 102214638) is N-naphthalen-1-yl-9,10-dioxoanthracene-2-carboxamide.
What is the SMILES notation for N-naphthalen-1-yl-9,10-dioxoanthracene-2-carboxamide?
The canonical SMILES for N-naphthalen-1-yl-9,10-dioxoanthracene-2-carboxamide is O=C(Nc1cccc2ccccc12)c1ccc2c(c1)C(=O)c1ccccc1C2=O.
What is the InChIKey of N-naphthalen-1-yl-9,10-dioxoanthracene-2-carboxamide?
The InChIKey is WPWJVQHTAQCYLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H15NO3/c27-23-18-9-3-4-10-19(18)24(28)21-14-16(12-13-20(21)23)25(29)26-22-11-5-7-15-6-1-2-8-17(15)22/h1-14H,(H,26,29).
What are the key properties of N-naphthalen-1-yl-9,10-dioxoanthracene-2-carboxamide?
N-naphthalen-1-yl-9,10-dioxoanthracene-2-carboxamide has a molecular weight of 377.40 g/mol, XLogP of 4.87, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-naphthalen-1-yl-9,10-dioxoanthracene-2-carboxamide is sourced from PubChem (CID 102214638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).