5-ethyl-N-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide;5-fluoro-3-methyl-N-[(1S)-1-phenylethyl]-1H-indole-2-carboxamide;5-fluoro-3-methyl-N-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide;N-[1-(3-fluorophenyl)ethyl]-5-methyl-1H-indole-2-carboxamide;5-methyl-N-[(4-methylphenyl)methyl]-1H-indole-2-carboxamide

C91H89F3N10O5 — CID 159279767

IUPAC5-ethyl-N-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide;5-fluoro-3-methyl-N-[(1S)-1-phenylethyl]-1H-indole-2-carboxamide;5-fluoro-3-methyl-N-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide;N-[1-(3-fluorophenyl)ethyl]-5-methyl-1H-indole-2-carboxamide;5-methyl-N-[(4-methylphenyl)methyl]-1H-indole-2-carboxamide
SMILESCCc1ccc2[nH]c(C(=O)N[C@H](C)c3ccccc3)cc2c1.Cc1c(C(=O)N[C@@H](C)c2ccccc2)[nH]c2ccc(F)cc12.Cc1c(C(=O)N[C@H](C)c2ccccc2)[nH]c2ccc(F)cc12.Cc1ccc(CNC(=O)c2cc3cc(C)ccc3[nH]2)cc1.Cc1ccc2[nH]c(C(=O)NC(C)c3cccc(F)c3)cc2c1
InChIInChI=1S/C19H20N2O.3C18H17FN2O.C18H18N2O/c1-3-14-9-10-17-16(11-14)12-18(21-17)19(22)20-13(2)15-7-5-4-6-8-15;1-11-6-7-16-14(8-11)10-17(21-16)18(22)20-12(2)13-4-3-5-15(19)9-13;2*1-11-15-10-14(19)8-9-16(15)21-17(11)18(22)20-12(2)13-6-4-3-5-7-13;1-12-3-6-14(7-4-12)11-19-18(21)17-10-15-9-13(2)5-8-16(15)20-17/h4-13,21H,3H2,1-2H3,(H,20,22);3*3-10,12,21H,1-2H3,(H,20,22);3-10,20H,11H2,1-2H3,(H,19,21)/t13-;;2*12-;/m1.10./s1
InChIKeyKYTNTLQODHWGOD-ULORVFNISA-N
MW1459.77 g/mol
LogP20.26
Rot. Bonds16

About 5-ethyl-N-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide;5-fluoro-3-methyl-N-[(1S)-1-phenylethyl]-1H-indole-2-carboxamide;5-fluoro-3-methyl-N-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide;N-[1-(3-fluorophenyl)ethyl]-5-methyl-1H-indole-2-carboxamide;5-methyl-N-[(4-methylphenyl)methyl]-1H-indole-2-carboxamide

5-ethyl-N-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide;5-fluoro-3-methyl-N-[(1S)-1-phenylethyl]-1H-indole-2-carboxamide;5-fluoro-3-methyl-N-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide;N-[1-(3-fluorophenyl)ethyl]-5-methyl-1H-indole-2-carboxamide;5-methyl-N-[(4-methylphenyl)methyl]-1H-indole-2-carboxamide (PubChem CID 159279767) has the molecular formula C91H89F3N10O5 and a molecular weight of 1459.77 g/mol. Its IUPAC name is 5-ethyl-N-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide;5-fluoro-3-methyl-N-[(1S)-1-phenylethyl]-1H-indole-2-carboxamide;5-fluoro-3-methyl-N-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide;N-[1-(3-fluorophenyl)ethyl]-5-methyl-1H-indole-2-carboxamide;5-methyl-N-[(4-methylphenyl)methyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound Name5-ethyl-N-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide;5-fluoro-3-methyl-N-[(1S)-1-phenylethyl]-1H-indole-2-carboxamide;5-fluoro-3-methyl-N-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide;N-[1-(3-fluorophenyl)ethyl]-5-methyl-1H-indole-2-carboxamide;5-methyl-N-[(4-methylphenyl)methyl]-1H-indole-2-carboxamide
PubChem CID159279767
Molecular FormulaC91H89F3N10O5
Molecular Weight1459.77 g/mol
Exact Mass1458.70
IUPAC Name5-ethyl-N-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide;5-fluoro-3-methyl-N-[(1S)-1-phenylethyl]-1H-indole-2-carboxamide;5-fluoro-3-methyl-N-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide;N-[1-(3-fluorophenyl)ethyl]-5-methyl-1H-indole-2-carboxamide;5-methyl-N-[(4-methylphenyl)methyl]-1H-indole-2-carboxamide
SMILESCCc1ccc2[nH]c(C(=O)N[C@H](C)c3ccccc3)cc2c1.Cc1c(C(=O)N[C@@H](C)c2ccccc2)[nH]c2ccc(F)cc12.Cc1c(C(=O)N[C@H](C)c2ccccc2)[nH]c2ccc(F)cc12.Cc1ccc(CNC(=O)c2cc3cc(C)ccc3[nH]2)cc1.Cc1ccc2[nH]c(C(=O)NC(C)c3cccc(F)c3)cc2c1
InChIInChI=1S/C19H20N2O.3C18H17FN2O.C18H18N2O/c1-3-14-9-10-17-16(11-14)12-18(21-17)19(22)20-13(2)15-7-5-4-6-8-15;1-11-6-7-16-14(8-11)10-17(21-16)18(22)20-12(2)13-4-3-5-15(19)9-13;2*1-11-15-10-14(19)8-9-16(15)21-17(11)18(22)20-12(2)13-6-4-3-5-7-13;1-12-3-6-14(7-4-12)11-19-18(21)17-10-15-9-13(2)5-8-16(15)20-17/h4-13,21H,3H2,1-2H3,(H,20,22);3*3-10,12,21H,1-2H3,(H,20,22);3-10,20H,11H2,1-2H3,(H,19,21)/t13-;;2*12-;/m1.10./s1
InChIKeyKYTNTLQODHWGOD-ULORVFNISA-N
XLogP20.26
TPSA224.45 Ų
H-Bond Donors10
H-Bond Acceptors5
Rotatable Bonds16
Heavy Atoms109
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001459.77
LogP ≤ 520.26
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

Analyze 5-ethyl-N-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide;5-fluoro-3-methyl-N-[(1S)-1-phenylethyl]-1H-indole-2-carboxamide;5-fluoro-3-methyl-N-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide;N-[1-(3-fluorophenyl)ethyl]-5-methyl-1H-indole-2-carboxamide;5-methyl-N-[(4-methylphenyl)methyl]-1H-indole-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide;5-fluoro-3-methyl-N-[(1S)-1-phenylethyl]-1H-indole-2-carboxamide;5-fluoro-3-methyl-N-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide;N-[1-(3-fluorophenyl)ethyl]-5-methyl-1H-indole-2-carboxamide;5-methyl-N-[(4-methylphenyl)methyl]-1H-indole-2-carboxamide?
The IUPAC name of 5-ethyl-N-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide;5-fluoro-3-methyl-N-[(1S)-1-phenylethyl]-1H-indole-2-carboxamide;5-fluoro-3-methyl-N-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide;N-[1-(3-fluorophenyl)ethyl]-5-methyl-1H-indole-2-carboxamide;5-methyl-N-[(4-methylphenyl)methyl]-1H-indole-2-carboxamide (CID 159279767) is 5-ethyl-N-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide;5-fluoro-3-methyl-N-[(1S)-1-phenylethyl]-1H-indole-2-carboxamide;5-fluoro-3-methyl-N-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide;N-[1-(3-fluorophenyl)ethyl]-5-methyl-1H-indole-2-carboxamide;5-methyl-N-[(4-methylphenyl)methyl]-1H-indole-2-carboxamide.
What is the SMILES notation for 5-ethyl-N-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide;5-fluoro-3-methyl-N-[(1S)-1-phenylethyl]-1H-indole-2-carboxamide;5-fluoro-3-methyl-N-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide;N-[1-(3-fluorophenyl)ethyl]-5-methyl-1H-indole-2-carboxamide;5-methyl-N-[(4-methylphenyl)methyl]-1H-indole-2-carboxamide?
The canonical SMILES for 5-ethyl-N-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide;5-fluoro-3-methyl-N-[(1S)-1-phenylethyl]-1H-indole-2-carboxamide;5-fluoro-3-methyl-N-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide;N-[1-(3-fluorophenyl)ethyl]-5-methyl-1H-indole-2-carboxamide;5-methyl-N-[(4-methylphenyl)methyl]-1H-indole-2-carboxamide is CCc1ccc2[nH]c(C(=O)N[C@H](C)c3ccccc3)cc2c1.Cc1c(C(=O)N[C@@H](C)c2ccccc2)[nH]c2ccc(F)cc12.Cc1c(C(=O)N[C@H](C)c2ccccc2)[nH]c2ccc(F)cc12.Cc1ccc(CNC(=O)c2cc3cc(C)ccc3[nH]2)cc1.Cc1ccc2[nH]c(C(=O)NC(C)c3cccc(F)c3)cc2c1.
What is the InChIKey of 5-ethyl-N-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide;5-fluoro-3-methyl-N-[(1S)-1-phenylethyl]-1H-indole-2-carboxamide;5-fluoro-3-methyl-N-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide;N-[1-(3-fluorophenyl)ethyl]-5-methyl-1H-indole-2-carboxamide;5-methyl-N-[(4-methylphenyl)methyl]-1H-indole-2-carboxamide?
The InChIKey is KYTNTLQODHWGOD-ULORVFNISA-N. The full InChI is InChI=1S/C19H20N2O.3C18H17FN2O.C18H18N2O/c1-3-14-9-10-17-16(11-14)12-18(21-17)19(22)20-13(2)15-7-5-4-6-8-15;1-11-6-7-16-14(8-11)10-17(21-16)18(22)20-12(2)13-4-3-5-15(19)9-13;2*1-11-15-10-14(19)8-9-16(15)21-17(11)18(22)20-12(2)13-6-4-3-5-7-13;1-12-3-6-14(7-4-12)11-19-18(21)17-10-15-9-13(2)5-8-16(15)20-17/h4-13,21H,3H2,1-2H3,(H,20,22);3*3-10,12,21H,1-2H3,(H,20,22);3-10,20H,11H2,1-2H3,(H,19,21)/t13-;;2*12-;/m1.10./s1.
What are the key properties of 5-ethyl-N-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide;5-fluoro-3-methyl-N-[(1S)-1-phenylethyl]-1H-indole-2-carboxamide;5-fluoro-3-methyl-N-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide;N-[1-(3-fluorophenyl)ethyl]-5-methyl-1H-indole-2-carboxamide;5-methyl-N-[(4-methylphenyl)methyl]-1H-indole-2-carboxamide?
5-ethyl-N-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide;5-fluoro-3-methyl-N-[(1S)-1-phenylethyl]-1H-indole-2-carboxamide;5-fluoro-3-methyl-N-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide;N-[1-(3-fluorophenyl)ethyl]-5-methyl-1H-indole-2-carboxamide;5-methyl-N-[(4-methylphenyl)methyl]-1H-indole-2-carboxamide has a molecular weight of 1459.77 g/mol, XLogP of 20.26, 16 rotatable bonds, 10 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide;5-fluoro-3-methyl-N-[(1S)-1-phenylethyl]-1H-indole-2-carboxamide;5-fluoro-3-methyl-N-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide;N-[1-(3-fluorophenyl)ethyl]-5-methyl-1H-indole-2-carboxamide;5-methyl-N-[(4-methylphenyl)methyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 159279767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).