1-[(2-fluorophenyl)methyl]-5-[[2-(1-methylcyclopentyl)acetyl]amino]-N-phenylindole-2-carboxamide

C30H30FN3O2 — CID 22144668

IUPAC1-[(2-fluorophenyl)methyl]-5-[[2-(1-methylcyclopentyl)acetyl]amino]-N-phenylindole-2-carboxamide
SMILESCC1(CC(=O)Nc2ccc3c(c2)cc(C(=O)Nc2ccccc2)n3Cc2ccccc2F)CCCC1
InChIInChI=1S/C30H30FN3O2/c1-30(15-7-8-16-30)19-28(35)32-24-13-14-26-22(17-24)18-27(29(36)33-23-10-3-2-4-11-23)34(26)20-21-9-5-6-12-25(21)31/h2-6,9-14,17-18H,7-8,15-16,19-20H2,1H3,(H,32,35)(H,33,36)
InChIKeyHLJNGIXNJBKBBG-UHFFFAOYSA-N
MW483.59 g/mol
LogP6.99
Rot. Bonds7

About 1-[(2-fluorophenyl)methyl]-5-[[2-(1-methylcyclopentyl)acetyl]amino]-N-phenylindole-2-carboxamide

1-[(2-fluorophenyl)methyl]-5-[[2-(1-methylcyclopentyl)acetyl]amino]-N-phenylindole-2-carboxamide (PubChem CID 22144668) has the molecular formula C30H30FN3O2 and a molecular weight of 483.59 g/mol. Its IUPAC name is 1-[(2-fluorophenyl)methyl]-5-[[2-(1-methylcyclopentyl)acetyl]amino]-N-phenylindole-2-carboxamide.

Molecular Properties

Compound Name1-[(2-fluorophenyl)methyl]-5-[[2-(1-methylcyclopentyl)acetyl]amino]-N-phenylindole-2-carboxamide
PubChem CID22144668
Molecular FormulaC30H30FN3O2
Molecular Weight483.59 g/mol
Exact Mass483.23
IUPAC Name1-[(2-fluorophenyl)methyl]-5-[[2-(1-methylcyclopentyl)acetyl]amino]-N-phenylindole-2-carboxamide
SMILESCC1(CC(=O)Nc2ccc3c(c2)cc(C(=O)Nc2ccccc2)n3Cc2ccccc2F)CCCC1
InChIInChI=1S/C30H30FN3O2/c1-30(15-7-8-16-30)19-28(35)32-24-13-14-26-22(17-24)18-27(29(36)33-23-10-3-2-4-11-23)34(26)20-21-9-5-6-12-25(21)31/h2-6,9-14,17-18H,7-8,15-16,19-20H2,1H3,(H,32,35)(H,33,36)
InChIKeyHLJNGIXNJBKBBG-UHFFFAOYSA-N
XLogP6.99
TPSA63.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.59
LogP ≤ 56.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-fluorophenyl)methyl]-5-[[2-(1-methylcyclopentyl)acetyl]amino]-N-phenylindole-2-carboxamide?
The IUPAC name of 1-[(2-fluorophenyl)methyl]-5-[[2-(1-methylcyclopentyl)acetyl]amino]-N-phenylindole-2-carboxamide (CID 22144668) is 1-[(2-fluorophenyl)methyl]-5-[[2-(1-methylcyclopentyl)acetyl]amino]-N-phenylindole-2-carboxamide.
What is the SMILES notation for 1-[(2-fluorophenyl)methyl]-5-[[2-(1-methylcyclopentyl)acetyl]amino]-N-phenylindole-2-carboxamide?
The canonical SMILES for 1-[(2-fluorophenyl)methyl]-5-[[2-(1-methylcyclopentyl)acetyl]amino]-N-phenylindole-2-carboxamide is CC1(CC(=O)Nc2ccc3c(c2)cc(C(=O)Nc2ccccc2)n3Cc2ccccc2F)CCCC1.
What is the InChIKey of 1-[(2-fluorophenyl)methyl]-5-[[2-(1-methylcyclopentyl)acetyl]amino]-N-phenylindole-2-carboxamide?
The InChIKey is HLJNGIXNJBKBBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30FN3O2/c1-30(15-7-8-16-30)19-28(35)32-24-13-14-26-22(17-24)18-27(29(36)33-23-10-3-2-4-11-23)34(26)20-21-9-5-6-12-25(21)31/h2-6,9-14,17-18H,7-8,15-16,19-20H2,1H3,(H,32,35)(H,33,36).
What are the key properties of 1-[(2-fluorophenyl)methyl]-5-[[2-(1-methylcyclopentyl)acetyl]amino]-N-phenylindole-2-carboxamide?
1-[(2-fluorophenyl)methyl]-5-[[2-(1-methylcyclopentyl)acetyl]amino]-N-phenylindole-2-carboxamide has a molecular weight of 483.59 g/mol, XLogP of 6.99, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-fluorophenyl)methyl]-5-[[2-(1-methylcyclopentyl)acetyl]amino]-N-phenylindole-2-carboxamide is sourced from PubChem (CID 22144668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).