N-cyclopentyl-2-methyl-4,9-dioxobenzo[f][1]benzofuran-3-carboxamide

C19H17NO4 — CID 2142312

IUPACN-cyclopentyl-2-methyl-4,9-dioxobenzo[f][1]benzofuran-3-carboxamide
SMILESCc1oc2c(c1C(=O)NC1CCCC1)C(=O)c1ccccc1C2=O
InChIInChI=1S/C19H17NO4/c1-10-14(19(23)20-11-6-2-3-7-11)15-16(21)12-8-4-5-9-13(12)17(22)18(15)24-10/h4-5,8-9,11H,2-3,6-7H2,1H3,(H,20,23)
InChIKeyUDCYKPMXTCBPCZ-UHFFFAOYSA-N
MW323.35 g/mol
LogP3.04
Rot. Bonds2

About N-cyclopentyl-2-methyl-4,9-dioxobenzo[f][1]benzofuran-3-carboxamide

N-cyclopentyl-2-methyl-4,9-dioxobenzo[f][1]benzofuran-3-carboxamide (PubChem CID 2142312) has the molecular formula C19H17NO4 and a molecular weight of 323.35 g/mol. Its IUPAC name is N-cyclopentyl-2-methyl-4,9-dioxobenzo[f][1]benzofuran-3-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-2-methyl-4,9-dioxobenzo[f][1]benzofuran-3-carboxamide
PubChem CID2142312
Molecular FormulaC19H17NO4
Molecular Weight323.35 g/mol
Exact Mass323.12
IUPAC NameN-cyclopentyl-2-methyl-4,9-dioxobenzo[f][1]benzofuran-3-carboxamide
SMILESCc1oc2c(c1C(=O)NC1CCCC1)C(=O)c1ccccc1C2=O
InChIInChI=1S/C19H17NO4/c1-10-14(19(23)20-11-6-2-3-7-11)15-16(21)12-8-4-5-9-13(12)17(22)18(15)24-10/h4-5,8-9,11H,2-3,6-7H2,1H3,(H,20,23)
InChIKeyUDCYKPMXTCBPCZ-UHFFFAOYSA-N
XLogP3.04
TPSA76.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(3R)-1,1-dioxothiolan-3-yl]-2-methyl-4,9-dioxobenzo[f][1]benzofuran-3-carboxamide
CID 27307489
2-methyl-3-(morpholine-4-carbonyl)benzo[f][1]benzofuran-4,9-dione
CID 1382504
2-(cyclohexylamino)-3-hexylbenzo[f][1]benzofuran-4,9-dione
CID 51356638
1-cyclohexyl-3-(9,10-dioxoanthracen-1-yl)urea
CID 5011815
1-(cyclohexylamino)-3-phenylindeno[1,2-c]furan-4-one
CID 132535887
N-(1-azabicyclo[2.2.2]octan-3-yl)-4,11-dihydroxy-2-methyl-5,10-dioxonaphtho[2,3-f][1]benzofuran-3-carboxamide
CID 127029926
N-cyclohexyl-5-methoxy-2-methyl-1-benzofuran-3-carboxamide
CID 1130073
N-cycloheptyl-2-methyl-5-oxo-4-phenyl-1,2-oxazole-3-carboxamide
CID 110680876
4-(azepan-1-ylmethyl)-N-cyclohexyl-5-hydroxy-2-methyl-1-benzofuran-3-carboxamide
CID 7540289
N-cyclopentyl-6-[(3-methyl-1,4-dioxonaphthalen-2-yl)methyl]pyridine-3-carboxamide
CID 155392150
N-cyclododecyl-2-methyl-3-oxo-5,6-diphenylpyridazine-4-carboxamide
CID 108790626
5-methyl-N-(4-methylcyclohexyl)-3-phenyl-1,2-oxazole-4-carboxamide
CID 4799748

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-methyl-4,9-dioxobenzo[f][1]benzofuran-3-carboxamide?
The IUPAC name of N-cyclopentyl-2-methyl-4,9-dioxobenzo[f][1]benzofuran-3-carboxamide (CID 2142312) is N-cyclopentyl-2-methyl-4,9-dioxobenzo[f][1]benzofuran-3-carboxamide.
What is the SMILES notation for N-cyclopentyl-2-methyl-4,9-dioxobenzo[f][1]benzofuran-3-carboxamide?
The canonical SMILES for N-cyclopentyl-2-methyl-4,9-dioxobenzo[f][1]benzofuran-3-carboxamide is Cc1oc2c(c1C(=O)NC1CCCC1)C(=O)c1ccccc1C2=O.
What is the InChIKey of N-cyclopentyl-2-methyl-4,9-dioxobenzo[f][1]benzofuran-3-carboxamide?
The InChIKey is UDCYKPMXTCBPCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO4/c1-10-14(19(23)20-11-6-2-3-7-11)15-16(21)12-8-4-5-9-13(12)17(22)18(15)24-10/h4-5,8-9,11H,2-3,6-7H2,1H3,(H,20,23).
What are the key properties of N-cyclopentyl-2-methyl-4,9-dioxobenzo[f][1]benzofuran-3-carboxamide?
N-cyclopentyl-2-methyl-4,9-dioxobenzo[f][1]benzofuran-3-carboxamide has a molecular weight of 323.35 g/mol, XLogP of 3.04, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-methyl-4,9-dioxobenzo[f][1]benzofuran-3-carboxamide is sourced from PubChem (CID 2142312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).