N-[1-[[4-(cyanomethyl)phenyl]methyl]-2,3-dihydroindol-5-yl]acetamide;N-[1-[[4-(cyanomethyl)phenyl]methyl]-3,4-dihydro-2H-quinolin-6-yl]acetamide;N-[1-[[4-(methylsulfonylmethyl)phenyl]methyl]indol-5-yl]acetamide;N-[1-[[4-(oxolan-2-yl)phenyl]methyl]-3,4-dihydro-2H-quinolin-6-yl]acetamide;N-[1-[[4-(trifluoromethoxymethyl)phenyl]methyl]indol-5-yl]acetamide

C99H103F3N12O9S — CID 158528483

About N-[1-[[4-(cyanomethyl)phenyl]methyl]-2,3-dihydroindol-5-yl]acetamide;N-[1-[[4-(cyanomethyl)phenyl]methyl]-3,4-dihydro-2H-quinolin-6-yl]acetamide;N-[1-[[4-(methylsulfonylmethyl)phenyl]methyl]indol-5-yl]acetamide;N-[1-[[4-(oxolan-2-yl)phenyl]methyl]-3,4-dihydro-2H-quinolin-6-yl]acetamide;N-[1-[[4-(trifluoromethoxymethyl)phenyl]methyl]indol-5-yl]acetamide

N-[1-[[4-(cyanomethyl)phenyl]methyl]-2,3-dihydroindol-5-yl]acetamide;N-[1-[[4-(cyanomethyl)phenyl]methyl]-3,4-dihydro-2H-quinolin-6-yl]acetamide;N-[1-[[4-(methylsulfonylmethyl)phenyl]methyl]indol-5-yl]acetamide;N-[1-[[4-(oxolan-2-yl)phenyl]methyl]-3,4-dihydro-2H-quinolin-6-yl]acetamide;N-[1-[[4-(trifluoromethoxymethyl)phenyl]methyl]indol-5-yl]acetamide (PubChem CID 158528483) has the molecular formula C99H103F3N12O9S and a molecular weight of 1694.05 g/mol. Its IUPAC name is N-[1-[[4-(cyanomethyl)phenyl]methyl]-2,3-dihydroindol-5-yl]acetamide;N-[1-[[4-(cyanomethyl)phenyl]methyl]-3,4-dihydro-2H-quinolin-6-yl]acetamide;N-[1-[[4-(methylsulfonylmethyl)phenyl]methyl]indol-5-yl]acetamide;N-[1-[[4-(oxolan-2-yl)phenyl]methyl]-3,4-dihydro-2H-quinolin-6-yl]acetamide;N-[1-[[4-(trifluoromethoxymethyl)phenyl]methyl]indol-5-yl]acetamide.

Molecular Properties

• Compound Name: N-[1-[[4-(cyanomethyl)phenyl]methyl]-2,3-dihydroindol-5-yl]acetamide;N-[1-[[4-(cyanomethyl)phenyl]methyl]-3,4-dihydro-2H-quinolin-6-yl]acetamide;N-[1-[[4-(methylsulfonylmethyl)phenyl]methyl]indol-5-yl]acetamide;N-[1-[[4-(oxolan-2-yl)phenyl]methyl]-3,4-dihydro-2H-quinolin-6-yl]acetamide;N-[1-[[4-(trifluoromethoxymethyl)phenyl]methyl]indol-5-yl]acetamide
• PubChem CID: 158528483
• Molecular Formula: C99H103F3N12O9S
• Molecular Weight: 1694.05 g/mol
• Exact Mass: 1692.76
• IUPAC Name: N-[1-[[4-(cyanomethyl)phenyl]methyl]-2,3-dihydroindol-5-yl]acetamide;N-[1-[[4-(cyanomethyl)phenyl]methyl]-3,4-dihydro-2H-quinolin-6-yl]acetamide;N-[1-[[4-(methylsulfonylmethyl)phenyl]methyl]indol-5-yl]acetamide;N-[1-[[4-(oxolan-2-yl)phenyl]methyl]-3,4-dihydro-2H-quinolin-6-yl]acetamide;N-[1-[[4-(trifluoromethoxymethyl)phenyl]methyl]indol-5-yl]acetamide
• SMILES: CC(=O)Nc1ccc2c(c1)CCCN2Cc1ccc(C2CCCO2)cc1.CC(=O)Nc1ccc2c(c1)CCCN2Cc1ccc(CC#N)cc1.CC(=O)Nc1ccc2c(c1)CCN2Cc1ccc(CC#N)cc1.CC(=O)Nc1ccc2c(ccn2Cc2ccc(COC(F)(F)F)cc2)c1.CC(=O)Nc1ccc2c(ccn2Cc2ccc(CS(C)(=O)=O)cc2)c1
• InChI: InChI=1S/C22H26N2O2.C20H21N3O.C19H17F3N2O2.C19H19N3O.C19H20N2O3S/c1-16(25)23-20-10-11-21-19(14-20)4-2-12-24(21)15-17-6-8-18(9-7-17)22-5-3-13-26-22;1-15(24)22-19-8-9-20-18(13-19)3-2-12-23(20)14-17-6-4-16(5-7-17)10-11-21;1-13(25)23-17-6-7-18-16(10-17)8-9-24(18)11-14-2-4-15(5-3-14)12-26-19(20,21)22;1-14(23)21-18-6-7-19-17(12-18)9-11-22(19)13-16-4-2-15(3-5-16)8-10-20;1-14(22)20-18-7-8-19-17(11-18)9-10-21(19)12-15-3-5-16(6-4-15)13-25(2,23)24/h6-11,14,22H,2-5,12-13,15H2,1H3,(H,23,25);4-9,13H,2-3,10,12,14H2,1H3,(H,22,24);2-10H,11-12H2,1H3,(H,23,25);2-7,12H,8-9,11,13H2,1H3,(H,21,23);3-11H,12-13H2,1-2H3,(H,20,22)
• InChIKey: HNBNTNRMJQYVKK-UHFFFAOYSA-N
• XLogP: 19.26
• TPSA: 265.26 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 16
• Rotatable Bonds: 22
• Heavy Atoms: 124
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1694.05
LogP ≤ 5	19.26
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[1-[[4-(cyanomethyl)phenyl]methyl]-2,3-dihydroindol-5-yl]acetamide;N-[1-[[4-(cyanomethyl)phenyl]methyl]-3,4-dihydro-2H-quinolin-6-yl]acetamide;N-[1-[[4-(methylsulfonylmethyl)phenyl]methyl]indol-5-yl]acetamide;N-[1-[[4-(oxolan-2-yl)phenyl]methyl]-3,4-dihydro-2H-quinolin-6-yl]acetamide;N-[1-[[4-(trifluoromethoxymethyl)phenyl]methyl]indol-5-yl]acetamide?

The IUPAC name of N-[1-[[4-(cyanomethyl)phenyl]methyl]-2,3-dihydroindol-5-yl]acetamide;N-[1-[[4-(cyanomethyl)phenyl]methyl]-3,4-dihydro-2H-quinolin-6-yl]acetamide;N-[1-[[4-(methylsulfonylmethyl)phenyl]methyl]indol-5-yl]acetamide;N-[1-[[4-(oxolan-2-yl)phenyl]methyl]-3,4-dihydro-2H-quinolin-6-yl]acetamide;N-[1-[[4-(trifluoromethoxymethyl)phenyl]methyl]indol-5-yl]acetamide (CID 158528483) is N-[1-[[4-(cyanomethyl)phenyl]methyl]-2,3-dihydroindol-5-yl]acetamide;N-[1-[[4-(cyanomethyl)phenyl]methyl]-3,4-dihydro-2H-quinolin-6-yl]acetamide;N-[1-[[4-(methylsulfonylmethyl)phenyl]methyl]indol-5-yl]acetamide;N-[1-[[4-(oxolan-2-yl)phenyl]methyl]-3,4-dihydro-2H-quinolin-6-yl]acetamide;N-[1-[[4-(trifluoromethoxymethyl)phenyl]methyl]indol-5-yl]acetamide.

What is the SMILES notation for N-[1-[[4-(cyanomethyl)phenyl]methyl]-2,3-dihydroindol-5-yl]acetamide;N-[1-[[4-(cyanomethyl)phenyl]methyl]-3,4-dihydro-2H-quinolin-6-yl]acetamide;N-[1-[[4-(methylsulfonylmethyl)phenyl]methyl]indol-5-yl]acetamide;N-[1-[[4-(oxolan-2-yl)phenyl]methyl]-3,4-dihydro-2H-quinolin-6-yl]acetamide;N-[1-[[4-(trifluoromethoxymethyl)phenyl]methyl]indol-5-yl]acetamide?

The canonical SMILES for N-[1-[[4-(cyanomethyl)phenyl]methyl]-2,3-dihydroindol-5-yl]acetamide;N-[1-[[4-(cyanomethyl)phenyl]methyl]-3,4-dihydro-2H-quinolin-6-yl]acetamide;N-[1-[[4-(methylsulfonylmethyl)phenyl]methyl]indol-5-yl]acetamide;N-[1-[[4-(oxolan-2-yl)phenyl]methyl]-3,4-dihydro-2H-quinolin-6-yl]acetamide;N-[1-[[4-(trifluoromethoxymethyl)phenyl]methyl]indol-5-yl]acetamide is CC(=O)Nc1ccc2c(c1)CCCN2Cc1ccc(C2CCCO2)cc1.CC(=O)Nc1ccc2c(c1)CCCN2Cc1ccc(CC#N)cc1.CC(=O)Nc1ccc2c(c1)CCN2Cc1ccc(CC#N)cc1.CC(=O)Nc1ccc2c(ccn2Cc2ccc(COC(F)(F)F)cc2)c1.CC(=O)Nc1ccc2c(ccn2Cc2ccc(CS(C)(=O)=O)cc2)c1.

What is the InChIKey of N-[1-[[4-(cyanomethyl)phenyl]methyl]-2,3-dihydroindol-5-yl]acetamide;N-[1-[[4-(cyanomethyl)phenyl]methyl]-3,4-dihydro-2H-quinolin-6-yl]acetamide;N-[1-[[4-(methylsulfonylmethyl)phenyl]methyl]indol-5-yl]acetamide;N-[1-[[4-(oxolan-2-yl)phenyl]methyl]-3,4-dihydro-2H-quinolin-6-yl]acetamide;N-[1-[[4-(trifluoromethoxymethyl)phenyl]methyl]indol-5-yl]acetamide?

The InChIKey is HNBNTNRMJQYVKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O2.C20H21N3O.C19H17F3N2O2.C19H19N3O.C19H20N2O3S/c1-16(25)23-20-10-11-21-19(14-20)4-2-12-24(21)15-17-6-8-18(9-7-17)22-5-3-13-26-22;1-15(24)22-19-8-9-20-18(13-19)3-2-12-23(20)14-17-6-4-16(5-7-17)10-11-21;1-13(25)23-17-6-7-18-16(10-17)8-9-24(18)11-14-2-4-15(5-3-14)12-26-19(20,21)22;1-14(23)21-18-6-7-19-17(12-18)9-11-22(19)13-16-4-2-15(3-5-16)8-10-20;1-14(22)20-18-7-8-19-17(11-18)9-10-21(19)12-15-3-5-16(6-4-15)13-25(2,23)24/h6-11,14,22H,2-5,12-13,15H2,1H3,(H,23,25);4-9,13H,2-3,10,12,14H2,1H3,(H,22,24);2-10H,11-12H2,1H3,(H,23,25);2-7,12H,8-9,11,13H2,1H3,(H,21,23);3-11H,12-13H2,1-2H3,(H,20,22).

What are the key properties of N-[1-[[4-(cyanomethyl)phenyl]methyl]-2,3-dihydroindol-5-yl]acetamide;N-[1-[[4-(cyanomethyl)phenyl]methyl]-3,4-dihydro-2H-quinolin-6-yl]acetamide;N-[1-[[4-(methylsulfonylmethyl)phenyl]methyl]indol-5-yl]acetamide;N-[1-[[4-(oxolan-2-yl)phenyl]methyl]-3,4-dihydro-2H-quinolin-6-yl]acetamide;N-[1-[[4-(trifluoromethoxymethyl)phenyl]methyl]indol-5-yl]acetamide?

N-[1-[[4-(cyanomethyl)phenyl]methyl]-2,3-dihydroindol-5-yl]acetamide;N-[1-[[4-(cyanomethyl)phenyl]methyl]-3,4-dihydro-2H-quinolin-6-yl]acetamide;N-[1-[[4-(methylsulfonylmethyl)phenyl]methyl]indol-5-yl]acetamide;N-[1-[[4-(oxolan-2-yl)phenyl]methyl]-3,4-dihydro-2H-quinolin-6-yl]acetamide;N-[1-[[4-(trifluoromethoxymethyl)phenyl]methyl]indol-5-yl]acetamide has a molecular weight of 1694.05 g/mol, XLogP of 19.26, 22 rotatable bonds, 5 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[[4-(cyanomethyl)phenyl]methyl]-2,3-dihydroindol-5-yl]acetamide;N-[1-[[4-(cyanomethyl)phenyl]methyl]-3,4-dihydro-2H-quinolin-6-yl]acetamide;N-[1-[[4-(methylsulfonylmethyl)phenyl]methyl]indol-5-yl]acetamide;N-[1-[[4-(oxolan-2-yl)phenyl]methyl]-3,4-dihydro-2H-quinolin-6-yl]acetamide;N-[1-[[4-(trifluoromethoxymethyl)phenyl]methyl]indol-5-yl]acetamide is sourced from PubChem (CID 158528483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).