4-fluoro-N-[6-fluoro-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]benzamide

C25H27F2N3O2 — CID 147710710

IUPAC4-fluoro-N-[6-fluoro-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]benzamide
SMILESCC(C)NC(=O)C1CCC(N2/C(=N/C(=O)c3ccc(F)cc3)Cc3ccc(F)cc32)CC1
InChIInChI=1S/C25H27F2N3O2/c1-15(2)28-24(31)17-6-11-21(12-7-17)30-22-14-20(27)10-5-18(22)13-23(30)29-25(32)16-3-8-19(26)9-4-16/h3-5,8-10,14-15,17,21H,6-7,11-13H2,1-2H3,(H,28,31)/b29-23+
InChIKeyGUQOANFJOCWKNB-BYNJWEBRSA-N
MW439.51 g/mol
LogP4.65
Rot. Bonds4

About 4-fluoro-N-[6-fluoro-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]benzamide

4-fluoro-N-[6-fluoro-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]benzamide (PubChem CID 147710710) has the molecular formula C25H27F2N3O2 and a molecular weight of 439.51 g/mol. Its IUPAC name is 4-fluoro-N-[6-fluoro-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[6-fluoro-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]benzamide
PubChem CID147710710
Molecular FormulaC25H27F2N3O2
Molecular Weight439.51 g/mol
Exact Mass439.21
IUPAC Name4-fluoro-N-[6-fluoro-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]benzamide
SMILESCC(C)NC(=O)C1CCC(N2/C(=N/C(=O)c3ccc(F)cc3)Cc3ccc(F)cc32)CC1
InChIInChI=1S/C25H27F2N3O2/c1-15(2)28-24(31)17-6-11-21(12-7-17)30-22-14-20(27)10-5-18(22)13-23(30)29-25(32)16-3-8-19(26)9-4-16/h3-5,8-10,14-15,17,21H,6-7,11-13H2,1-2H3,(H,28,31)/b29-23+
InChIKeyGUQOANFJOCWKNB-BYNJWEBRSA-N
XLogP4.65
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.51
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 4-fluoro-N-[6-fluoro-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]benzamide with MolForge

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Related Compounds

3-ethyl-2-[(Z)-(2-oxo-1-propan-2-ylindol-3-ylidene)methyl]quinazolin-4-one
CID 6517412
2-[(Z)-(2-oxo-1-propan-2-ylindol-3-ylidene)methyl]-3-phenylquinazolin-4-one
CID 5786987
3-Ethyl-2-(2-oxo-1,2-dihydro-indol-3-ylidenemethyl)-3H-quinazolin-4-one
CID 135424992
2-[(Z)-(2-oxo-1-propan-2-ylindol-3-ylidene)methyl]-1H-quinazolin-4-one
CID 135517023
2-[(1-ethyl-2-oxo-3H-indol-3-yl)methyl]-3-methylquinazolin-4-one
CID 2880275
3-Methyl-2-(2-oxo-1-propyl-2,3-dihydro-1H-indol-3-ylmethyl)-3H-quinazolin-4-one
CID 3132854
2-[(1-isopropyl-2-oxo-1,2-dihydro-3H-indol-3-ylidene)methyl]-3-phenyl-4(3H)-quinazolinone
CID 5336432
N-[2-(4-fluorophenyl)ethyl]-9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxamide
CID 8438517
N-(2,4-difluorophenyl)-9-oxo-1,2,3,9-tetrahydropyrrolo[2,1-b]quinazoline-6-carboxamide
CID 9095334
2-(4-fluorophenyl)-N~1~-{[1-(3-methylbenzoyl)-2,3-dihydro-1H-indol-5-yl]methyl}acetamide
CID 16033321
2-[(2-oxo-1-propyl-1,2-dihydro-3H-indol-3-ylidene)methyl]-4(3H)-quinazolinone
CID 135401458
2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]-7-(trifluoromethyl)-1H-quinazolin-4-one
CID 135512362

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[6-fluoro-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]benzamide?
The IUPAC name of 4-fluoro-N-[6-fluoro-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]benzamide (CID 147710710) is 4-fluoro-N-[6-fluoro-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]benzamide.
What is the SMILES notation for 4-fluoro-N-[6-fluoro-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]benzamide?
The canonical SMILES for 4-fluoro-N-[6-fluoro-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]benzamide is CC(C)NC(=O)C1CCC(N2/C(=N/C(=O)c3ccc(F)cc3)Cc3ccc(F)cc32)CC1.
What is the InChIKey of 4-fluoro-N-[6-fluoro-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]benzamide?
The InChIKey is GUQOANFJOCWKNB-BYNJWEBRSA-N. The full InChI is InChI=1S/C25H27F2N3O2/c1-15(2)28-24(31)17-6-11-21(12-7-17)30-22-14-20(27)10-5-18(22)13-23(30)29-25(32)16-3-8-19(26)9-4-16/h3-5,8-10,14-15,17,21H,6-7,11-13H2,1-2H3,(H,28,31)/b29-23+.
What are the key properties of 4-fluoro-N-[6-fluoro-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]benzamide?
4-fluoro-N-[6-fluoro-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]benzamide has a molecular weight of 439.51 g/mol, XLogP of 4.65, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[6-fluoro-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]benzamide is sourced from PubChem (CID 147710710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).