N-[2-(diethylamino)ethyl]-4-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,5-dimethylcyclopenta-1,4-diene-1-carboxamide

About N-[2-(diethylamino)ethyl]-4-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,5-dimethylcyclopenta-1,4-diene-1-carboxamide

N-[2-(diethylamino)ethyl]-4-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,5-dimethylcyclopenta-1,4-diene-1-carboxamide (PubChem CID 135157294) has the molecular formula C23H28FN3O2 and a molecular weight of 397.49 g/mol. Its IUPAC name is N-[2-(diethylamino)ethyl]-4-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,5-dimethylcyclopenta-1,4-diene-1-carboxamide.

Molecular Properties

Compound Name	N-[2-(diethylamino)ethyl]-4-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,5-dimethylcyclopenta-1,4-diene-1-carboxamide
PubChem CID	135157294
Molecular Formula	C23H28FN3O2
Molecular Weight	397.49 g/mol
Exact Mass	397.22
IUPAC Name	N-[2-(diethylamino)ethyl]-4-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,5-dimethylcyclopenta-1,4-diene-1-carboxamide
SMILES	CCN(CC)CCNC(=O)C1=C(C)CC(/C=C2\C(=O)Nc3ccc(F)cc32)=C1C
InChI	InChI=1S/C23H28FN3O2/c1-5-27(6-2)10-9-25-23(29)21-14(3)11-16(15(21)4)12-19-18-13-17(24)7-8-20(18)26-22(19)28/h7-8,12-13H,5-6,9-11H2,1-4H3,(H,25,29)(H,26,28)/b19-12-
InChIKey	HBUVKVNNXGZFLJ-UNOMPAQXSA-N
XLogP	3.66
TPSA	61.44 Å²
H-Bond Donors	2
H-Bond Acceptors	3
Rotatable Bonds	7
Heavy Atoms	29
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	397.49
LogP ≤ 5	3.66
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

Structural Alerts	{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Related Compounds

Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)ethyl]-4-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,5-dimethylcyclopenta-1,4-diene-1-carboxamide?

The IUPAC name of N-[2-(diethylamino)ethyl]-4-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,5-dimethylcyclopenta-1,4-diene-1-carboxamide (CID 135157294) is N-[2-(diethylamino)ethyl]-4-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,5-dimethylcyclopenta-1,4-diene-1-carboxamide.

What is the SMILES notation for N-[2-(diethylamino)ethyl]-4-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,5-dimethylcyclopenta-1,4-diene-1-carboxamide?

The canonical SMILES for N-[2-(diethylamino)ethyl]-4-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,5-dimethylcyclopenta-1,4-diene-1-carboxamide is CCN(CC)CCNC(=O)C1=C(C)CC(/C=C2\C(=O)Nc3ccc(F)cc32)=C1C.

What is the InChIKey of N-[2-(diethylamino)ethyl]-4-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,5-dimethylcyclopenta-1,4-diene-1-carboxamide?

The InChIKey is HBUVKVNNXGZFLJ-UNOMPAQXSA-N. The full InChI is InChI=1S/C23H28FN3O2/c1-5-27(6-2)10-9-25-23(29)21-14(3)11-16(15(21)4)12-19-18-13-17(24)7-8-20(18)26-22(19)28/h7-8,12-13H,5-6,9-11H2,1-4H3,(H,25,29)(H,26,28)/b19-12-.

What are the key properties of N-[2-(diethylamino)ethyl]-4-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,5-dimethylcyclopenta-1,4-diene-1-carboxamide?

N-[2-(diethylamino)ethyl]-4-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,5-dimethylcyclopenta-1,4-diene-1-carboxamide has a molecular weight of 397.49 g/mol, XLogP of 3.66, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(diethylamino)ethyl]-4-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,5-dimethylcyclopenta-1,4-diene-1-carboxamide is sourced from PubChem (CID 135157294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).