N-[2-(dimethylamino)ethyl]-2-[(3Z)-6-fluoro-2-methyl-3-(naphthalen-2-ylmethylidene)inden-1-yl]acetamide

About N-[2-(dimethylamino)ethyl]-2-[(3Z)-6-fluoro-2-methyl-3-(naphthalen-2-ylmethylidene)inden-1-yl]acetamide

N-[2-(dimethylamino)ethyl]-2-[(3Z)-6-fluoro-2-methyl-3-(naphthalen-2-ylmethylidene)inden-1-yl]acetamide (PubChem CID 70686980) has the molecular formula C27H27FN2O and a molecular weight of 414.52 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-2-[(3Z)-6-fluoro-2-methyl-3-(naphthalen-2-ylmethylidene)inden-1-yl]acetamide.

Molecular Properties

Compound Name	N-[2-(dimethylamino)ethyl]-2-[(3Z)-6-fluoro-2-methyl-3-(naphthalen-2-ylmethylidene)inden-1-yl]acetamide
PubChem CID	70686980
Molecular Formula	C27H27FN2O
Molecular Weight	414.52 g/mol
Exact Mass	414.21
IUPAC Name	N-[2-(dimethylamino)ethyl]-2-[(3Z)-6-fluoro-2-methyl-3-(naphthalen-2-ylmethylidene)inden-1-yl]acetamide
SMILES	CC1=C(CC(=O)NCCN(C)C)c2cc(F)ccc2/C1=C\c1ccc2ccccc2c1
InChI	InChI=1S/C27H27FN2O/c1-18-24(15-19-8-9-20-6-4-5-7-21(20)14-19)23-11-10-22(28)16-26(23)25(18)17-27(31)29-12-13-30(2)3/h4-11,14-16H,12-13,17H2,1-3H3,(H,29,31)/b24-15-
InChIKey	RLPLDZMSEHLOBZ-IWIPYMOSSA-N
XLogP	5.37
TPSA	32.34 Å²
H-Bond Donors	1
H-Bond Acceptors	2
Rotatable Bonds	6
Heavy Atoms	31
Complexity	—

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	414.52
LogP ≤ 5	5.37
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

Structural Alerts	{'alert_name': 'stilbene', 'substructure': 'N/A'}

Related Compounds

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-2-[(3Z)-6-fluoro-2-methyl-3-(naphthalen-2-ylmethylidene)inden-1-yl]acetamide?

The IUPAC name of N-[2-(dimethylamino)ethyl]-2-[(3Z)-6-fluoro-2-methyl-3-(naphthalen-2-ylmethylidene)inden-1-yl]acetamide (CID 70686980) is N-[2-(dimethylamino)ethyl]-2-[(3Z)-6-fluoro-2-methyl-3-(naphthalen-2-ylmethylidene)inden-1-yl]acetamide.

What is the SMILES notation for N-[2-(dimethylamino)ethyl]-2-[(3Z)-6-fluoro-2-methyl-3-(naphthalen-2-ylmethylidene)inden-1-yl]acetamide?

The canonical SMILES for N-[2-(dimethylamino)ethyl]-2-[(3Z)-6-fluoro-2-methyl-3-(naphthalen-2-ylmethylidene)inden-1-yl]acetamide is CC1=C(CC(=O)NCCN(C)C)c2cc(F)ccc2/C1=C\c1ccc2ccccc2c1.

What is the InChIKey of N-[2-(dimethylamino)ethyl]-2-[(3Z)-6-fluoro-2-methyl-3-(naphthalen-2-ylmethylidene)inden-1-yl]acetamide?

The InChIKey is RLPLDZMSEHLOBZ-IWIPYMOSSA-N. The full InChI is InChI=1S/C27H27FN2O/c1-18-24(15-19-8-9-20-6-4-5-7-21(20)14-19)23-11-10-22(28)16-26(23)25(18)17-27(31)29-12-13-30(2)3/h4-11,14-16H,12-13,17H2,1-3H3,(H,29,31)/b24-15-.

What are the key properties of N-[2-(dimethylamino)ethyl]-2-[(3Z)-6-fluoro-2-methyl-3-(naphthalen-2-ylmethylidene)inden-1-yl]acetamide?

N-[2-(dimethylamino)ethyl]-2-[(3Z)-6-fluoro-2-methyl-3-(naphthalen-2-ylmethylidene)inden-1-yl]acetamide has a molecular weight of 414.52 g/mol, XLogP of 5.37, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(dimethylamino)ethyl]-2-[(3Z)-6-fluoro-2-methyl-3-(naphthalen-2-ylmethylidene)inden-1-yl]acetamide is sourced from PubChem (CID 70686980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).