N-[2-(2-chlorophenyl)ethyl]-4-(2-phenylethynyl)benzamide;N-[2-(4-chlorophenyl)ethyl]-4-(2-phenylethynyl)benzamide;N-(2,3-dihydro-1H-inden-1-yl)-4-(2-phenylethynyl)benzamide;N-(2,3-dihydro-1H-inden-2-yl)-4-(2-phenylethynyl)benzamide;4-(2-phenylethynyl)-N-(2-piperidin-1-ylethyl)benzamide

C116H98Cl2N6O5 — CID 158459145

IUPACN-[2-(2-chlorophenyl)ethyl]-4-(2-phenylethynyl)benzamide;N-[2-(4-chlorophenyl)ethyl]-4-(2-phenylethynyl)benzamide;N-(2,3-dihydro-1H-inden-1-yl)-4-(2-phenylethynyl)benzamide;N-(2,3-dihydro-1H-inden-2-yl)-4-(2-phenylethynyl)benzamide;4-(2-phenylethynyl)-N-(2-piperidin-1-ylethyl)benzamide
SMILESO=C(NC1CCc2ccccc21)c1ccc(C#Cc2ccccc2)cc1.O=C(NC1Cc2ccccc2C1)c1ccc(C#Cc2ccccc2)cc1.O=C(NCCN1CCCCC1)c1ccc(C#Cc2ccccc2)cc1.O=C(NCCc1ccc(Cl)cc1)c1ccc(C#Cc2ccccc2)cc1.O=C(NCCc1ccccc1Cl)c1ccc(C#Cc2ccccc2)cc1
InChIInChI=1S/2C24H19NO.2C23H18ClNO.C22H24N2O/c26-24(25-23-16-21-8-4-5-9-22(21)17-23)20-14-12-19(13-15-20)11-10-18-6-2-1-3-7-18;26-24(25-23-17-16-20-8-4-5-9-22(20)23)21-14-12-19(13-15-21)11-10-18-6-2-1-3-7-18;24-22-9-5-4-8-20(22)16-17-25-23(26)21-14-12-19(13-15-21)11-10-18-6-2-1-3-7-18;24-22-14-10-20(11-15-22)16-17-25-23(26)21-12-8-19(9-13-21)7-6-18-4-2-1-3-5-18;25-22(23-15-18-24-16-5-2-6-17-24)21-13-11-20(12-14-21)10-9-19-7-3-1-4-8-19/h2*1-9,12-15,23H,16-17H2,(H,25,26);1-9,12-15H,16-17H2,(H,25,26);1-5,8-15H,16-17H2,(H,25,26);1,3-4,7-8,11-14H,2,5-6,15-18H2,(H,23,25)
InChIKeyHEYJJPLWLZANAR-UHFFFAOYSA-N
MW1727.00 g/mol
LogP21.21
Rot. Bonds16

About N-[2-(2-chlorophenyl)ethyl]-4-(2-phenylethynyl)benzamide;N-[2-(4-chlorophenyl)ethyl]-4-(2-phenylethynyl)benzamide;N-(2,3-dihydro-1H-inden-1-yl)-4-(2-phenylethynyl)benzamide;N-(2,3-dihydro-1H-inden-2-yl)-4-(2-phenylethynyl)benzamide;4-(2-phenylethynyl)-N-(2-piperidin-1-ylethyl)benzamide

N-[2-(2-chlorophenyl)ethyl]-4-(2-phenylethynyl)benzamide;N-[2-(4-chlorophenyl)ethyl]-4-(2-phenylethynyl)benzamide;N-(2,3-dihydro-1H-inden-1-yl)-4-(2-phenylethynyl)benzamide;N-(2,3-dihydro-1H-inden-2-yl)-4-(2-phenylethynyl)benzamide;4-(2-phenylethynyl)-N-(2-piperidin-1-ylethyl)benzamide (PubChem CID 158459145) has the molecular formula C116H98Cl2N6O5 and a molecular weight of 1727.00 g/mol. Its IUPAC name is N-[2-(2-chlorophenyl)ethyl]-4-(2-phenylethynyl)benzamide;N-[2-(4-chlorophenyl)ethyl]-4-(2-phenylethynyl)benzamide;N-(2,3-dihydro-1H-inden-1-yl)-4-(2-phenylethynyl)benzamide;N-(2,3-dihydro-1H-inden-2-yl)-4-(2-phenylethynyl)benzamide;4-(2-phenylethynyl)-N-(2-piperidin-1-ylethyl)benzamide.

Molecular Properties

Compound NameN-[2-(2-chlorophenyl)ethyl]-4-(2-phenylethynyl)benzamide;N-[2-(4-chlorophenyl)ethyl]-4-(2-phenylethynyl)benzamide;N-(2,3-dihydro-1H-inden-1-yl)-4-(2-phenylethynyl)benzamide;N-(2,3-dihydro-1H-inden-2-yl)-4-(2-phenylethynyl)benzamide;4-(2-phenylethynyl)-N-(2-piperidin-1-ylethyl)benzamide
PubChem CID158459145
Molecular FormulaC116H98Cl2N6O5
Molecular Weight1727.00 g/mol
Exact Mass1724.70
IUPAC NameN-[2-(2-chlorophenyl)ethyl]-4-(2-phenylethynyl)benzamide;N-[2-(4-chlorophenyl)ethyl]-4-(2-phenylethynyl)benzamide;N-(2,3-dihydro-1H-inden-1-yl)-4-(2-phenylethynyl)benzamide;N-(2,3-dihydro-1H-inden-2-yl)-4-(2-phenylethynyl)benzamide;4-(2-phenylethynyl)-N-(2-piperidin-1-ylethyl)benzamide
SMILESO=C(NC1CCc2ccccc21)c1ccc(C#Cc2ccccc2)cc1.O=C(NC1Cc2ccccc2C1)c1ccc(C#Cc2ccccc2)cc1.O=C(NCCN1CCCCC1)c1ccc(C#Cc2ccccc2)cc1.O=C(NCCc1ccc(Cl)cc1)c1ccc(C#Cc2ccccc2)cc1.O=C(NCCc1ccccc1Cl)c1ccc(C#Cc2ccccc2)cc1
InChIInChI=1S/2C24H19NO.2C23H18ClNO.C22H24N2O/c26-24(25-23-16-21-8-4-5-9-22(21)17-23)20-14-12-19(13-15-20)11-10-18-6-2-1-3-7-18;26-24(25-23-17-16-20-8-4-5-9-22(20)23)21-14-12-19(13-15-21)11-10-18-6-2-1-3-7-18;24-22-9-5-4-8-20(22)16-17-25-23(26)21-14-12-19(13-15-21)11-10-18-6-2-1-3-7-18;24-22-14-10-20(11-15-22)16-17-25-23(26)21-12-8-19(9-13-21)7-6-18-4-2-1-3-5-18;25-22(23-15-18-24-16-5-2-6-17-24)21-13-11-20(12-14-21)10-9-19-7-3-1-4-8-19/h2*1-9,12-15,23H,16-17H2,(H,25,26);1-9,12-15H,16-17H2,(H,25,26);1-5,8-15H,16-17H2,(H,25,26);1,3-4,7-8,11-14H,2,5-6,15-18H2,(H,23,25)
InChIKeyHEYJJPLWLZANAR-UHFFFAOYSA-N
XLogP21.21
TPSA148.74 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds16
Heavy Atoms129
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001727.00
LogP ≤ 521.21
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-[2-(2-chlorophenyl)ethyl]-4-(2-phenylethynyl)benzamide;N-[2-(4-chlorophenyl)ethyl]-4-(2-phenylethynyl)benzamide;N-(2,3-dihydro-1H-inden-1-yl)-4-(2-phenylethynyl)benzamide;N-(2,3-dihydro-1H-inden-2-yl)-4-(2-phenylethynyl)benzamide;4-(2-phenylethynyl)-N-(2-piperidin-1-ylethyl)benzamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chlorophenyl)ethyl]-4-(2-phenylethynyl)benzamide;N-[2-(4-chlorophenyl)ethyl]-4-(2-phenylethynyl)benzamide;N-(2,3-dihydro-1H-inden-1-yl)-4-(2-phenylethynyl)benzamide;N-(2,3-dihydro-1H-inden-2-yl)-4-(2-phenylethynyl)benzamide;4-(2-phenylethynyl)-N-(2-piperidin-1-ylethyl)benzamide?
The IUPAC name of N-[2-(2-chlorophenyl)ethyl]-4-(2-phenylethynyl)benzamide;N-[2-(4-chlorophenyl)ethyl]-4-(2-phenylethynyl)benzamide;N-(2,3-dihydro-1H-inden-1-yl)-4-(2-phenylethynyl)benzamide;N-(2,3-dihydro-1H-inden-2-yl)-4-(2-phenylethynyl)benzamide;4-(2-phenylethynyl)-N-(2-piperidin-1-ylethyl)benzamide (CID 158459145) is N-[2-(2-chlorophenyl)ethyl]-4-(2-phenylethynyl)benzamide;N-[2-(4-chlorophenyl)ethyl]-4-(2-phenylethynyl)benzamide;N-(2,3-dihydro-1H-inden-1-yl)-4-(2-phenylethynyl)benzamide;N-(2,3-dihydro-1H-inden-2-yl)-4-(2-phenylethynyl)benzamide;4-(2-phenylethynyl)-N-(2-piperidin-1-ylethyl)benzamide.
What is the SMILES notation for N-[2-(2-chlorophenyl)ethyl]-4-(2-phenylethynyl)benzamide;N-[2-(4-chlorophenyl)ethyl]-4-(2-phenylethynyl)benzamide;N-(2,3-dihydro-1H-inden-1-yl)-4-(2-phenylethynyl)benzamide;N-(2,3-dihydro-1H-inden-2-yl)-4-(2-phenylethynyl)benzamide;4-(2-phenylethynyl)-N-(2-piperidin-1-ylethyl)benzamide?
The canonical SMILES for N-[2-(2-chlorophenyl)ethyl]-4-(2-phenylethynyl)benzamide;N-[2-(4-chlorophenyl)ethyl]-4-(2-phenylethynyl)benzamide;N-(2,3-dihydro-1H-inden-1-yl)-4-(2-phenylethynyl)benzamide;N-(2,3-dihydro-1H-inden-2-yl)-4-(2-phenylethynyl)benzamide;4-(2-phenylethynyl)-N-(2-piperidin-1-ylethyl)benzamide is O=C(NC1CCc2ccccc21)c1ccc(C#Cc2ccccc2)cc1.O=C(NC1Cc2ccccc2C1)c1ccc(C#Cc2ccccc2)cc1.O=C(NCCN1CCCCC1)c1ccc(C#Cc2ccccc2)cc1.O=C(NCCc1ccc(Cl)cc1)c1ccc(C#Cc2ccccc2)cc1.O=C(NCCc1ccccc1Cl)c1ccc(C#Cc2ccccc2)cc1.
What is the InChIKey of N-[2-(2-chlorophenyl)ethyl]-4-(2-phenylethynyl)benzamide;N-[2-(4-chlorophenyl)ethyl]-4-(2-phenylethynyl)benzamide;N-(2,3-dihydro-1H-inden-1-yl)-4-(2-phenylethynyl)benzamide;N-(2,3-dihydro-1H-inden-2-yl)-4-(2-phenylethynyl)benzamide;4-(2-phenylethynyl)-N-(2-piperidin-1-ylethyl)benzamide?
The InChIKey is HEYJJPLWLZANAR-UHFFFAOYSA-N. The full InChI is InChI=1S/2C24H19NO.2C23H18ClNO.C22H24N2O/c26-24(25-23-16-21-8-4-5-9-22(21)17-23)20-14-12-19(13-15-20)11-10-18-6-2-1-3-7-18;26-24(25-23-17-16-20-8-4-5-9-22(20)23)21-14-12-19(13-15-21)11-10-18-6-2-1-3-7-18;24-22-9-5-4-8-20(22)16-17-25-23(26)21-14-12-19(13-15-21)11-10-18-6-2-1-3-7-18;24-22-14-10-20(11-15-22)16-17-25-23(26)21-12-8-19(9-13-21)7-6-18-4-2-1-3-5-18;25-22(23-15-18-24-16-5-2-6-17-24)21-13-11-20(12-14-21)10-9-19-7-3-1-4-8-19/h2*1-9,12-15,23H,16-17H2,(H,25,26);1-9,12-15H,16-17H2,(H,25,26);1-5,8-15H,16-17H2,(H,25,26);1,3-4,7-8,11-14H,2,5-6,15-18H2,(H,23,25).
What are the key properties of N-[2-(2-chlorophenyl)ethyl]-4-(2-phenylethynyl)benzamide;N-[2-(4-chlorophenyl)ethyl]-4-(2-phenylethynyl)benzamide;N-(2,3-dihydro-1H-inden-1-yl)-4-(2-phenylethynyl)benzamide;N-(2,3-dihydro-1H-inden-2-yl)-4-(2-phenylethynyl)benzamide;4-(2-phenylethynyl)-N-(2-piperidin-1-ylethyl)benzamide?
N-[2-(2-chlorophenyl)ethyl]-4-(2-phenylethynyl)benzamide;N-[2-(4-chlorophenyl)ethyl]-4-(2-phenylethynyl)benzamide;N-(2,3-dihydro-1H-inden-1-yl)-4-(2-phenylethynyl)benzamide;N-(2,3-dihydro-1H-inden-2-yl)-4-(2-phenylethynyl)benzamide;4-(2-phenylethynyl)-N-(2-piperidin-1-ylethyl)benzamide has a molecular weight of 1727.00 g/mol, XLogP of 21.21, 16 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-chlorophenyl)ethyl]-4-(2-phenylethynyl)benzamide;N-[2-(4-chlorophenyl)ethyl]-4-(2-phenylethynyl)benzamide;N-(2,3-dihydro-1H-inden-1-yl)-4-(2-phenylethynyl)benzamide;N-(2,3-dihydro-1H-inden-2-yl)-4-(2-phenylethynyl)benzamide;4-(2-phenylethynyl)-N-(2-piperidin-1-ylethyl)benzamide is sourced from PubChem (CID 158459145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).