N-(9,10-dioxoanthracen-1-yl)-2-phenylcyclopropane-1-carboxamide

C24H17NO3 — CID 3349653

IUPACN-(9,10-dioxoanthracen-1-yl)-2-phenylcyclopropane-1-carboxamide
SMILESO=C1c2ccccc2C(=O)c2c(NC(=O)C3CC3c3ccccc3)cccc21
InChIInChI=1S/C24H17NO3/c26-22-15-9-4-5-10-16(15)23(27)21-17(22)11-6-12-20(21)25-24(28)19-13-18(19)14-7-2-1-3-8-14/h1-12,18-19H,13H2,(H,25,28)
InChIKeyBNXLBOWVKAWRFH-UHFFFAOYSA-N
MW367.40 g/mol
LogP4.20
Rot. Bonds3

About N-(9,10-dioxoanthracen-1-yl)-2-phenylcyclopropane-1-carboxamide

N-(9,10-dioxoanthracen-1-yl)-2-phenylcyclopropane-1-carboxamide (PubChem CID 3349653) has the molecular formula C24H17NO3 and a molecular weight of 367.40 g/mol. Its IUPAC name is N-(9,10-dioxoanthracen-1-yl)-2-phenylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-(9,10-dioxoanthracen-1-yl)-2-phenylcyclopropane-1-carboxamide
PubChem CID3349653
Molecular FormulaC24H17NO3
Molecular Weight367.40 g/mol
Exact Mass367.12
IUPAC NameN-(9,10-dioxoanthracen-1-yl)-2-phenylcyclopropane-1-carboxamide
SMILESO=C1c2ccccc2C(=O)c2c(NC(=O)C3CC3c3ccccc3)cccc21
InChIInChI=1S/C24H17NO3/c26-22-15-9-4-5-10-16(15)23(27)21-17(22)11-6-12-20(21)25-24(28)19-13-18(19)14-7-2-1-3-8-14/h1-12,18-19H,13H2,(H,25,28)
InChIKeyBNXLBOWVKAWRFH-UHFFFAOYSA-N
XLogP4.20
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.40
LogP ≤ 54.20
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-cyanophenyl)-2-phenylcyclopropane-1-carboxamide
CID 3093789
N-methyl-2-[(2-phenylcyclopropanecarbonyl)amino]benzamide
CID 110606701
N-(9,10-dioxoanthracen-1-yl)adamantane-1-carboxamide
CID 4034251
1-acetyl-N-(9,10-dioxoanthracen-1-yl)piperidine-4-carboxamide
CID 108792195
N-(2-amino-5-methylphenyl)-2-phenylcyclopropane-1-carboxamide
CID 115912203
N-(2-bromo-4-methylphenyl)-2-phenylcyclopropane-1-carboxamide
CID 3346016
cis-(1R,2S)-2-phenyl-N-[4-[4-[[(1R,2S)-2-phenylcyclopropanecarbonyl]amino]phenyl]phenyl]cyclopropane-1-carboxamide
CID 93010782
1-[(2-oxo-1-phenylethenyl)amino]anthracene-9,10-dione
CID 176542149
cis-(1R,2S)-N-(4-acetamidophenyl)-2-phenylcyclopropane-1-carboxamide
CID 7071046
N-(3-hydroxyphenyl)-2-phenylcyclopropane-1-carboxamide
CID 81445768
cis-(1S,2R)-N-(2-methoxy-5-methylphenyl)-2-phenylcyclopropane-1-carboxamide
CID 868729
trans-(1R,2R)-N-(3-chlorophenyl)-2-phenylcyclopropane-1-carboxamide
CID 792382

Frequently Asked Questions

What is the IUPAC name of N-(9,10-dioxoanthracen-1-yl)-2-phenylcyclopropane-1-carboxamide?
The IUPAC name of N-(9,10-dioxoanthracen-1-yl)-2-phenylcyclopropane-1-carboxamide (CID 3349653) is N-(9,10-dioxoanthracen-1-yl)-2-phenylcyclopropane-1-carboxamide.
What is the SMILES notation for N-(9,10-dioxoanthracen-1-yl)-2-phenylcyclopropane-1-carboxamide?
The canonical SMILES for N-(9,10-dioxoanthracen-1-yl)-2-phenylcyclopropane-1-carboxamide is O=C1c2ccccc2C(=O)c2c(NC(=O)C3CC3c3ccccc3)cccc21.
What is the InChIKey of N-(9,10-dioxoanthracen-1-yl)-2-phenylcyclopropane-1-carboxamide?
The InChIKey is BNXLBOWVKAWRFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17NO3/c26-22-15-9-4-5-10-16(15)23(27)21-17(22)11-6-12-20(21)25-24(28)19-13-18(19)14-7-2-1-3-8-14/h1-12,18-19H,13H2,(H,25,28).
What are the key properties of N-(9,10-dioxoanthracen-1-yl)-2-phenylcyclopropane-1-carboxamide?
N-(9,10-dioxoanthracen-1-yl)-2-phenylcyclopropane-1-carboxamide has a molecular weight of 367.40 g/mol, XLogP of 4.20, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,10-dioxoanthracen-1-yl)-2-phenylcyclopropane-1-carboxamide is sourced from PubChem (CID 3349653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).