6-[cyclopropyl(cyclopropylmethyl)amino]-5-fluoro-1H-indole-2,3-dione

C15H15FN2O2 — CID 80746677

IUPAC6-[cyclopropyl(cyclopropylmethyl)amino]-5-fluoro-1H-indole-2,3-dione
SMILESO=C1Nc2cc(N(CC3CC3)C3CC3)c(F)cc2C1=O
InChIInChI=1S/C15H15FN2O2/c16-11-5-10-12(17-15(20)14(10)19)6-13(11)18(9-3-4-9)7-8-1-2-8/h5-6,8-9H,1-4,7H2,(H,17,19,20)
InChIKeyFFCMMBWJUCBDAY-UHFFFAOYSA-N
MW274.29 g/mol
LogP2.34
Rot. Bonds4

About 6-[cyclopropyl(cyclopropylmethyl)amino]-5-fluoro-1H-indole-2,3-dione

6-[cyclopropyl(cyclopropylmethyl)amino]-5-fluoro-1H-indole-2,3-dione (PubChem CID 80746677) has the molecular formula C15H15FN2O2 and a molecular weight of 274.29 g/mol. Its IUPAC name is 6-[cyclopropyl(cyclopropylmethyl)amino]-5-fluoro-1H-indole-2,3-dione.

Molecular Properties

Compound Name6-[cyclopropyl(cyclopropylmethyl)amino]-5-fluoro-1H-indole-2,3-dione
PubChem CID80746677
Molecular FormulaC15H15FN2O2
Molecular Weight274.29 g/mol
Exact Mass274.11
IUPAC Name6-[cyclopropyl(cyclopropylmethyl)amino]-5-fluoro-1H-indole-2,3-dione
SMILESO=C1Nc2cc(N(CC3CC3)C3CC3)c(F)cc2C1=O
InChIInChI=1S/C15H15FN2O2/c16-11-5-10-12(17-15(20)14(10)19)6-13(11)18(9-3-4-9)7-8-1-2-8/h5-6,8-9H,1-4,7H2,(H,17,19,20)
InChIKeyFFCMMBWJUCBDAY-UHFFFAOYSA-N
XLogP2.34
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.29
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 6-[cyclopropyl(cyclopropylmethyl)amino]-5-fluoro-1H-indole-2,3-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-bromo-6-[cyclopropyl(cyclopropylmethyl)amino]-1H-indole-2,3-dione
CID 79343460
6-[cyclopropylmethyl(ethyl)amino]-5-fluoro-1H-indole-2,3-dione
CID 80757870
6-[cyclopentyl(methyl)amino]-5-fluoro-1H-indole-2,3-dione
CID 80746568
6-[bis(prop-2-enyl)amino]-5-fluoro-1H-indole-2,3-dione
CID 80746657
6-[butan-2-yl(methyl)amino]-5-fluoro-1H-indole-2,3-dione
CID 80747078
5-chloro-6-[cyclohexyl(ethyl)amino]-1H-indole-2,3-dione
CID 79342508
5-fluoro-6-[propyl(2,2,2-trifluoroethyl)amino]-1H-indole-2,3-dione
CID 80728641
6-[2-ethoxyethyl(methyl)amino]-5-fluoro-1H-indole-2,3-dione
CID 81055874
6-bromo-5-fluoro-1H-indole-2,3-dione
CID 67517039
4-[cyclopropyl(cyclopropylmethyl)amino]-3-fluorobenzonitrile
CID 64520153
N-cyclopropyl-N-(cyclopropylmethyl)-2-fluoro-4-[(propan-2-ylamino)methyl]aniline
CID 64520411
(1R)-1-[4-[cyclopropyl(cyclopropylmethyl)amino]-3-fluorophenyl]ethanol
CID 64521778

Frequently Asked Questions

What is the IUPAC name of 6-[cyclopropyl(cyclopropylmethyl)amino]-5-fluoro-1H-indole-2,3-dione?
The IUPAC name of 6-[cyclopropyl(cyclopropylmethyl)amino]-5-fluoro-1H-indole-2,3-dione (CID 80746677) is 6-[cyclopropyl(cyclopropylmethyl)amino]-5-fluoro-1H-indole-2,3-dione.
What is the SMILES notation for 6-[cyclopropyl(cyclopropylmethyl)amino]-5-fluoro-1H-indole-2,3-dione?
The canonical SMILES for 6-[cyclopropyl(cyclopropylmethyl)amino]-5-fluoro-1H-indole-2,3-dione is O=C1Nc2cc(N(CC3CC3)C3CC3)c(F)cc2C1=O.
What is the InChIKey of 6-[cyclopropyl(cyclopropylmethyl)amino]-5-fluoro-1H-indole-2,3-dione?
The InChIKey is FFCMMBWJUCBDAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O2/c16-11-5-10-12(17-15(20)14(10)19)6-13(11)18(9-3-4-9)7-8-1-2-8/h5-6,8-9H,1-4,7H2,(H,17,19,20).
What are the key properties of 6-[cyclopropyl(cyclopropylmethyl)amino]-5-fluoro-1H-indole-2,3-dione?
6-[cyclopropyl(cyclopropylmethyl)amino]-5-fluoro-1H-indole-2,3-dione has a molecular weight of 274.29 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[cyclopropyl(cyclopropylmethyl)amino]-5-fluoro-1H-indole-2,3-dione is sourced from PubChem (CID 80746677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).