N-cyclopentyl-4-cyclopropyl-N-[(2,6-difluorophenyl)methyl]-1H-indole-2-carboxamide

C24H24F2N2O — CID 146076601

IUPACN-cyclopentyl-4-cyclopropyl-N-[(2,6-difluorophenyl)methyl]-1H-indole-2-carboxamide
SMILESO=C(c1cc2c(C3CC3)cccc2[nH]1)N(Cc1c(F)cccc1F)C1CCCC1
InChIInChI=1S/C24H24F2N2O/c25-20-8-4-9-21(26)19(20)14-28(16-5-1-2-6-16)24(29)23-13-18-17(15-11-12-15)7-3-10-22(18)27-23/h3-4,7-10,13,15-16,27H,1-2,5-6,11-12,14H2
InChIKeyGPZBJEZVMHMSDL-UHFFFAOYSA-N
MW394.47 g/mol
LogP5.91
Rot. Bonds5

About N-cyclopentyl-4-cyclopropyl-N-[(2,6-difluorophenyl)methyl]-1H-indole-2-carboxamide

N-cyclopentyl-4-cyclopropyl-N-[(2,6-difluorophenyl)methyl]-1H-indole-2-carboxamide (PubChem CID 146076601) has the molecular formula C24H24F2N2O and a molecular weight of 394.47 g/mol. Its IUPAC name is N-cyclopentyl-4-cyclopropyl-N-[(2,6-difluorophenyl)methyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-4-cyclopropyl-N-[(2,6-difluorophenyl)methyl]-1H-indole-2-carboxamide
PubChem CID146076601
Molecular FormulaC24H24F2N2O
Molecular Weight394.47 g/mol
Exact Mass394.19
IUPAC NameN-cyclopentyl-4-cyclopropyl-N-[(2,6-difluorophenyl)methyl]-1H-indole-2-carboxamide
SMILESO=C(c1cc2c(C3CC3)cccc2[nH]1)N(Cc1c(F)cccc1F)C1CCCC1
InChIInChI=1S/C24H24F2N2O/c25-20-8-4-9-21(26)19(20)14-28(16-5-1-2-6-16)24(29)23-13-18-17(15-11-12-15)7-3-10-22(18)27-23/h3-4,7-10,13,15-16,27H,1-2,5-6,11-12,14H2
InChIKeyGPZBJEZVMHMSDL-UHFFFAOYSA-N
XLogP5.91
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.47
LogP ≤ 55.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-4-cyclopropyl-N-[(2,6-difluorophenyl)methyl]-1H-indole-2-carboxamide?
The IUPAC name of N-cyclopentyl-4-cyclopropyl-N-[(2,6-difluorophenyl)methyl]-1H-indole-2-carboxamide (CID 146076601) is N-cyclopentyl-4-cyclopropyl-N-[(2,6-difluorophenyl)methyl]-1H-indole-2-carboxamide.
What is the SMILES notation for N-cyclopentyl-4-cyclopropyl-N-[(2,6-difluorophenyl)methyl]-1H-indole-2-carboxamide?
The canonical SMILES for N-cyclopentyl-4-cyclopropyl-N-[(2,6-difluorophenyl)methyl]-1H-indole-2-carboxamide is O=C(c1cc2c(C3CC3)cccc2[nH]1)N(Cc1c(F)cccc1F)C1CCCC1.
What is the InChIKey of N-cyclopentyl-4-cyclopropyl-N-[(2,6-difluorophenyl)methyl]-1H-indole-2-carboxamide?
The InChIKey is GPZBJEZVMHMSDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24F2N2O/c25-20-8-4-9-21(26)19(20)14-28(16-5-1-2-6-16)24(29)23-13-18-17(15-11-12-15)7-3-10-22(18)27-23/h3-4,7-10,13,15-16,27H,1-2,5-6,11-12,14H2.
What are the key properties of N-cyclopentyl-4-cyclopropyl-N-[(2,6-difluorophenyl)methyl]-1H-indole-2-carboxamide?
N-cyclopentyl-4-cyclopropyl-N-[(2,6-difluorophenyl)methyl]-1H-indole-2-carboxamide has a molecular weight of 394.47 g/mol, XLogP of 5.91, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-4-cyclopropyl-N-[(2,6-difluorophenyl)methyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 146076601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).