1-benzyl-6-cyclopentyloxy-N-[(3,4-difluorophenyl)methyl]-2-propan-2-ylindole-3-carboxamide

C31H32F2N2O2 — CID 25160863

IUPAC1-benzyl-6-cyclopentyloxy-N-[(3,4-difluorophenyl)methyl]-2-propan-2-ylindole-3-carboxamide
SMILESCC(C)c1c(C(=O)NCc2ccc(F)c(F)c2)c2ccc(OC3CCCC3)cc2n1Cc1ccccc1
InChIInChI=1S/C31H32F2N2O2/c1-20(2)30-29(31(36)34-18-22-12-15-26(32)27(33)16-22)25-14-13-24(37-23-10-6-7-11-23)17-28(25)35(30)19-21-8-4-3-5-9-21/h3-5,8-9,12-17,20,23H,6-7,10-11,18-19H2,1-2H3,(H,34,36)
InChIKeyMVPSPWKUUIWJIW-UHFFFAOYSA-N
MW502.61 g/mol
LogP7.34
Rot. Bonds8

About 1-benzyl-6-cyclopentyloxy-N-[(3,4-difluorophenyl)methyl]-2-propan-2-ylindole-3-carboxamide

1-benzyl-6-cyclopentyloxy-N-[(3,4-difluorophenyl)methyl]-2-propan-2-ylindole-3-carboxamide (PubChem CID 25160863) has the molecular formula C31H32F2N2O2 and a molecular weight of 502.61 g/mol. Its IUPAC name is 1-benzyl-6-cyclopentyloxy-N-[(3,4-difluorophenyl)methyl]-2-propan-2-ylindole-3-carboxamide.

Molecular Properties

Compound Name1-benzyl-6-cyclopentyloxy-N-[(3,4-difluorophenyl)methyl]-2-propan-2-ylindole-3-carboxamide
PubChem CID25160863
Molecular FormulaC31H32F2N2O2
Molecular Weight502.61 g/mol
Exact Mass502.24
IUPAC Name1-benzyl-6-cyclopentyloxy-N-[(3,4-difluorophenyl)methyl]-2-propan-2-ylindole-3-carboxamide
SMILESCC(C)c1c(C(=O)NCc2ccc(F)c(F)c2)c2ccc(OC3CCCC3)cc2n1Cc1ccccc1
InChIInChI=1S/C31H32F2N2O2/c1-20(2)30-29(31(36)34-18-22-12-15-26(32)27(33)16-22)25-14-13-24(37-23-10-6-7-11-23)17-28(25)35(30)19-21-8-4-3-5-9-21/h3-5,8-9,12-17,20,23H,6-7,10-11,18-19H2,1-2H3,(H,34,36)
InChIKeyMVPSPWKUUIWJIW-UHFFFAOYSA-N
XLogP7.34
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.61
LogP ≤ 57.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-6-cyclopentyloxy-N-[(3,4-difluorophenyl)methyl]-2-propan-2-ylindole-3-carboxamide?
The IUPAC name of 1-benzyl-6-cyclopentyloxy-N-[(3,4-difluorophenyl)methyl]-2-propan-2-ylindole-3-carboxamide (CID 25160863) is 1-benzyl-6-cyclopentyloxy-N-[(3,4-difluorophenyl)methyl]-2-propan-2-ylindole-3-carboxamide.
What is the SMILES notation for 1-benzyl-6-cyclopentyloxy-N-[(3,4-difluorophenyl)methyl]-2-propan-2-ylindole-3-carboxamide?
The canonical SMILES for 1-benzyl-6-cyclopentyloxy-N-[(3,4-difluorophenyl)methyl]-2-propan-2-ylindole-3-carboxamide is CC(C)c1c(C(=O)NCc2ccc(F)c(F)c2)c2ccc(OC3CCCC3)cc2n1Cc1ccccc1.
What is the InChIKey of 1-benzyl-6-cyclopentyloxy-N-[(3,4-difluorophenyl)methyl]-2-propan-2-ylindole-3-carboxamide?
The InChIKey is MVPSPWKUUIWJIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H32F2N2O2/c1-20(2)30-29(31(36)34-18-22-12-15-26(32)27(33)16-22)25-14-13-24(37-23-10-6-7-11-23)17-28(25)35(30)19-21-8-4-3-5-9-21/h3-5,8-9,12-17,20,23H,6-7,10-11,18-19H2,1-2H3,(H,34,36).
What are the key properties of 1-benzyl-6-cyclopentyloxy-N-[(3,4-difluorophenyl)methyl]-2-propan-2-ylindole-3-carboxamide?
1-benzyl-6-cyclopentyloxy-N-[(3,4-difluorophenyl)methyl]-2-propan-2-ylindole-3-carboxamide has a molecular weight of 502.61 g/mol, XLogP of 7.34, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-6-cyclopentyloxy-N-[(3,4-difluorophenyl)methyl]-2-propan-2-ylindole-3-carboxamide is sourced from PubChem (CID 25160863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).