N-[2-[[6-fluoro-2-oxo-3-(1H-pyrrol-2-yl)-1H-benzo[cd]indol-5-yl]amino]ethyl]acetamide

C19H17FN4O2 — CID 10132679

IUPACN-[2-[[6-fluoro-2-oxo-3-(1H-pyrrol-2-yl)-1H-benzo[cd]indol-5-yl]amino]ethyl]acetamide
SMILESCC(=O)NCCNc1cc(-c2ccc[nH]2)c2c3c(ccc(F)c13)NC2=O
InChIInChI=1S/C19H17FN4O2/c1-10(25)21-7-8-23-15-9-11(13-3-2-6-22-13)16-18-14(24-19(16)26)5-4-12(20)17(15)18/h2-6,9,22-23H,7-8H2,1H3,(H,21,25)(H,24,26)
InChIKeyRMTMSYZHBIXLDA-UHFFFAOYSA-N
MW352.37 g/mol
LogP3.09
Rot. Bonds5

About N-[2-[[6-fluoro-2-oxo-3-(1H-pyrrol-2-yl)-1H-benzo[cd]indol-5-yl]amino]ethyl]acetamide

N-[2-[[6-fluoro-2-oxo-3-(1H-pyrrol-2-yl)-1H-benzo[cd]indol-5-yl]amino]ethyl]acetamide (PubChem CID 10132679) has the molecular formula C19H17FN4O2 and a molecular weight of 352.37 g/mol. Its IUPAC name is N-[2-[[6-fluoro-2-oxo-3-(1H-pyrrol-2-yl)-1H-benzo[cd]indol-5-yl]amino]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[[6-fluoro-2-oxo-3-(1H-pyrrol-2-yl)-1H-benzo[cd]indol-5-yl]amino]ethyl]acetamide
PubChem CID10132679
Molecular FormulaC19H17FN4O2
Molecular Weight352.37 g/mol
Exact Mass352.13
IUPAC NameN-[2-[[6-fluoro-2-oxo-3-(1H-pyrrol-2-yl)-1H-benzo[cd]indol-5-yl]amino]ethyl]acetamide
SMILESCC(=O)NCCNc1cc(-c2ccc[nH]2)c2c3c(ccc(F)c13)NC2=O
InChIInChI=1S/C19H17FN4O2/c1-10(25)21-7-8-23-15-9-11(13-3-2-6-22-13)16-18-14(24-19(16)26)5-4-12(20)17(15)18/h2-6,9,22-23H,7-8H2,1H3,(H,21,25)(H,24,26)
InChIKeyRMTMSYZHBIXLDA-UHFFFAOYSA-N
XLogP3.09
TPSA86.02 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.37
LogP ≤ 53.09
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-[[6-fluoro-2-oxo-3-(1H-pyrrol-2-yl)-1H-benzo[cd]indol-5-yl]amino]ethyl]acetamide?
The IUPAC name of N-[2-[[6-fluoro-2-oxo-3-(1H-pyrrol-2-yl)-1H-benzo[cd]indol-5-yl]amino]ethyl]acetamide (CID 10132679) is N-[2-[[6-fluoro-2-oxo-3-(1H-pyrrol-2-yl)-1H-benzo[cd]indol-5-yl]amino]ethyl]acetamide.
What is the SMILES notation for N-[2-[[6-fluoro-2-oxo-3-(1H-pyrrol-2-yl)-1H-benzo[cd]indol-5-yl]amino]ethyl]acetamide?
The canonical SMILES for N-[2-[[6-fluoro-2-oxo-3-(1H-pyrrol-2-yl)-1H-benzo[cd]indol-5-yl]amino]ethyl]acetamide is CC(=O)NCCNc1cc(-c2ccc[nH]2)c2c3c(ccc(F)c13)NC2=O.
What is the InChIKey of N-[2-[[6-fluoro-2-oxo-3-(1H-pyrrol-2-yl)-1H-benzo[cd]indol-5-yl]amino]ethyl]acetamide?
The InChIKey is RMTMSYZHBIXLDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN4O2/c1-10(25)21-7-8-23-15-9-11(13-3-2-6-22-13)16-18-14(24-19(16)26)5-4-12(20)17(15)18/h2-6,9,22-23H,7-8H2,1H3,(H,21,25)(H,24,26).
What are the key properties of N-[2-[[6-fluoro-2-oxo-3-(1H-pyrrol-2-yl)-1H-benzo[cd]indol-5-yl]amino]ethyl]acetamide?
N-[2-[[6-fluoro-2-oxo-3-(1H-pyrrol-2-yl)-1H-benzo[cd]indol-5-yl]amino]ethyl]acetamide has a molecular weight of 352.37 g/mol, XLogP of 3.09, 5 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[6-fluoro-2-oxo-3-(1H-pyrrol-2-yl)-1H-benzo[cd]indol-5-yl]amino]ethyl]acetamide is sourced from PubChem (CID 10132679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).