N-[4-[(2-methyl-1,3-dioxoinden-2-yl)amino]phenyl]acetamide

C18H16N2O3 — CID 2835708

IUPACN-[4-[(2-methyl-1,3-dioxoinden-2-yl)amino]phenyl]acetamide
SMILESCC(=O)Nc1ccc(NC2(C)C(=O)c3ccccc3C2=O)cc1
InChIInChI=1S/C18H16N2O3/c1-11(21)19-12-7-9-13(10-8-12)20-18(2)16(22)14-5-3-4-6-15(14)17(18)23/h3-10,20H,1-2H3,(H,19,21)
InChIKeyRLQDYQZAGXUDAH-UHFFFAOYSA-N
MW308.34 g/mol
LogP2.89
Rot. Bonds3

About N-[4-[(2-methyl-1,3-dioxoinden-2-yl)amino]phenyl]acetamide

N-[4-[(2-methyl-1,3-dioxoinden-2-yl)amino]phenyl]acetamide (PubChem CID 2835708) has the molecular formula C18H16N2O3 and a molecular weight of 308.34 g/mol. Its IUPAC name is N-[4-[(2-methyl-1,3-dioxoinden-2-yl)amino]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[(2-methyl-1,3-dioxoinden-2-yl)amino]phenyl]acetamide
PubChem CID2835708
Molecular FormulaC18H16N2O3
Molecular Weight308.34 g/mol
Exact Mass308.12
IUPAC NameN-[4-[(2-methyl-1,3-dioxoinden-2-yl)amino]phenyl]acetamide
SMILESCC(=O)Nc1ccc(NC2(C)C(=O)c3ccccc3C2=O)cc1
InChIInChI=1S/C18H16N2O3/c1-11(21)19-12-7-9-13(10-8-12)20-18(2)16(22)14-5-3-4-6-15(14)17(18)23/h3-10,20H,1-2H3,(H,19,21)
InChIKeyRLQDYQZAGXUDAH-UHFFFAOYSA-N
XLogP2.89
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'keto_keto_beta_A(68)', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(2-methyl-1,3-dioxoinden-2-yl)amino]phenyl]acetamide?
The IUPAC name of N-[4-[(2-methyl-1,3-dioxoinden-2-yl)amino]phenyl]acetamide (CID 2835708) is N-[4-[(2-methyl-1,3-dioxoinden-2-yl)amino]phenyl]acetamide.
What is the SMILES notation for N-[4-[(2-methyl-1,3-dioxoinden-2-yl)amino]phenyl]acetamide?
The canonical SMILES for N-[4-[(2-methyl-1,3-dioxoinden-2-yl)amino]phenyl]acetamide is CC(=O)Nc1ccc(NC2(C)C(=O)c3ccccc3C2=O)cc1.
What is the InChIKey of N-[4-[(2-methyl-1,3-dioxoinden-2-yl)amino]phenyl]acetamide?
The InChIKey is RLQDYQZAGXUDAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O3/c1-11(21)19-12-7-9-13(10-8-12)20-18(2)16(22)14-5-3-4-6-15(14)17(18)23/h3-10,20H,1-2H3,(H,19,21).
What are the key properties of N-[4-[(2-methyl-1,3-dioxoinden-2-yl)amino]phenyl]acetamide?
N-[4-[(2-methyl-1,3-dioxoinden-2-yl)amino]phenyl]acetamide has a molecular weight of 308.34 g/mol, XLogP of 2.89, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2-methyl-1,3-dioxoinden-2-yl)amino]phenyl]acetamide is sourced from PubChem (CID 2835708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).