N-(3-chlorophenyl)-N-(1,4-dioxo-3-piperidin-1-ylnaphthalen-2-yl)acetamide

C23H21ClN2O3 — CID 2903301

IUPACN-(3-chlorophenyl)-N-(1,4-dioxo-3-piperidin-1-ylnaphthalen-2-yl)acetamide
SMILESCC(=O)N(C1=C(N2CCCCC2)C(=O)c2ccccc2C1=O)c1cccc(Cl)c1
InChIInChI=1S/C23H21ClN2O3/c1-15(27)26(17-9-7-8-16(24)14-17)21-20(25-12-5-2-6-13-25)22(28)18-10-3-4-11-19(18)23(21)29/h3-4,7-11,14H,2,5-6,12-13H2,1H3
InChIKeyKQYSNNZAXNFTEO-UHFFFAOYSA-N
MW408.89 g/mol
LogP4.47
Rot. Bonds3

About N-(3-chlorophenyl)-N-(1,4-dioxo-3-piperidin-1-ylnaphthalen-2-yl)acetamide

N-(3-chlorophenyl)-N-(1,4-dioxo-3-piperidin-1-ylnaphthalen-2-yl)acetamide (PubChem CID 2903301) has the molecular formula C23H21ClN2O3 and a molecular weight of 408.89 g/mol. Its IUPAC name is N-(3-chlorophenyl)-N-(1,4-dioxo-3-piperidin-1-ylnaphthalen-2-yl)acetamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-N-(1,4-dioxo-3-piperidin-1-ylnaphthalen-2-yl)acetamide
PubChem CID2903301
Molecular FormulaC23H21ClN2O3
Molecular Weight408.89 g/mol
Exact Mass408.12
IUPAC NameN-(3-chlorophenyl)-N-(1,4-dioxo-3-piperidin-1-ylnaphthalen-2-yl)acetamide
SMILESCC(=O)N(C1=C(N2CCCCC2)C(=O)c2ccccc2C1=O)c1cccc(Cl)c1
InChIInChI=1S/C23H21ClN2O3/c1-15(27)26(17-9-7-8-16(24)14-17)21-20(25-12-5-2-6-13-25)22(28)18-10-3-4-11-19(18)23(21)29/h3-4,7-11,14H,2,5-6,12-13H2,1H3
InChIKeyKQYSNNZAXNFTEO-UHFFFAOYSA-N
XLogP4.47
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.89
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-N-(1,4-dioxo-3-piperidin-1-ylnaphthalen-2-yl)acetamide?
The IUPAC name of N-(3-chlorophenyl)-N-(1,4-dioxo-3-piperidin-1-ylnaphthalen-2-yl)acetamide (CID 2903301) is N-(3-chlorophenyl)-N-(1,4-dioxo-3-piperidin-1-ylnaphthalen-2-yl)acetamide.
What is the SMILES notation for N-(3-chlorophenyl)-N-(1,4-dioxo-3-piperidin-1-ylnaphthalen-2-yl)acetamide?
The canonical SMILES for N-(3-chlorophenyl)-N-(1,4-dioxo-3-piperidin-1-ylnaphthalen-2-yl)acetamide is CC(=O)N(C1=C(N2CCCCC2)C(=O)c2ccccc2C1=O)c1cccc(Cl)c1.
What is the InChIKey of N-(3-chlorophenyl)-N-(1,4-dioxo-3-piperidin-1-ylnaphthalen-2-yl)acetamide?
The InChIKey is KQYSNNZAXNFTEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClN2O3/c1-15(27)26(17-9-7-8-16(24)14-17)21-20(25-12-5-2-6-13-25)22(28)18-10-3-4-11-19(18)23(21)29/h3-4,7-11,14H,2,5-6,12-13H2,1H3.
What are the key properties of N-(3-chlorophenyl)-N-(1,4-dioxo-3-piperidin-1-ylnaphthalen-2-yl)acetamide?
N-(3-chlorophenyl)-N-(1,4-dioxo-3-piperidin-1-ylnaphthalen-2-yl)acetamide has a molecular weight of 408.89 g/mol, XLogP of 4.47, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-N-(1,4-dioxo-3-piperidin-1-ylnaphthalen-2-yl)acetamide is sourced from PubChem (CID 2903301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).