N-[3-cyano-1-[(1S)-1-phenylethyl]-4,5,6,7-tetrahydroindol-2-yl]benzamide

C24H23N3O — CID 10499341

IUPACN-[3-cyano-1-[(1S)-1-phenylethyl]-4,5,6,7-tetrahydroindol-2-yl]benzamide
SMILESC[C@@H](c1ccccc1)n1c2c(c(C#N)c1NC(=O)c1ccccc1)CCCC2
InChIInChI=1S/C24H23N3O/c1-17(18-10-4-2-5-11-18)27-22-15-9-8-14-20(22)21(16-25)23(27)26-24(28)19-12-6-3-7-13-19/h2-7,10-13,17H,8-9,14-15H2,1H3,(H,26,28)/t17-/m0/s1
InChIKeyUARVERWRYWHCFQ-KRWDZBQOSA-N
MW369.47 g/mol
LogP5.10
Rot. Bonds4

About N-[3-cyano-1-[(1S)-1-phenylethyl]-4,5,6,7-tetrahydroindol-2-yl]benzamide

N-[3-cyano-1-[(1S)-1-phenylethyl]-4,5,6,7-tetrahydroindol-2-yl]benzamide (PubChem CID 10499341) has the molecular formula C24H23N3O and a molecular weight of 369.47 g/mol. Its IUPAC name is N-[3-cyano-1-[(1S)-1-phenylethyl]-4,5,6,7-tetrahydroindol-2-yl]benzamide.

Molecular Properties

Compound NameN-[3-cyano-1-[(1S)-1-phenylethyl]-4,5,6,7-tetrahydroindol-2-yl]benzamide
PubChem CID10499341
Molecular FormulaC24H23N3O
Molecular Weight369.47 g/mol
Exact Mass369.18
IUPAC NameN-[3-cyano-1-[(1S)-1-phenylethyl]-4,5,6,7-tetrahydroindol-2-yl]benzamide
SMILESC[C@@H](c1ccccc1)n1c2c(c(C#N)c1NC(=O)c1ccccc1)CCCC2
InChIInChI=1S/C24H23N3O/c1-17(18-10-4-2-5-11-18)27-22-15-9-8-14-20(22)21(16-25)23(27)26-24(28)19-12-6-3-7-13-19/h2-7,10-13,17H,8-9,14-15H2,1H3,(H,26,28)/t17-/m0/s1
InChIKeyUARVERWRYWHCFQ-KRWDZBQOSA-N
XLogP5.10
TPSA57.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.47
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[3-cyano-1-[(1S)-1-phenylethyl]-4,5,6,7-tetrahydroindol-2-yl]benzamide?
The IUPAC name of N-[3-cyano-1-[(1S)-1-phenylethyl]-4,5,6,7-tetrahydroindol-2-yl]benzamide (CID 10499341) is N-[3-cyano-1-[(1S)-1-phenylethyl]-4,5,6,7-tetrahydroindol-2-yl]benzamide.
What is the SMILES notation for N-[3-cyano-1-[(1S)-1-phenylethyl]-4,5,6,7-tetrahydroindol-2-yl]benzamide?
The canonical SMILES for N-[3-cyano-1-[(1S)-1-phenylethyl]-4,5,6,7-tetrahydroindol-2-yl]benzamide is C[C@@H](c1ccccc1)n1c2c(c(C#N)c1NC(=O)c1ccccc1)CCCC2.
What is the InChIKey of N-[3-cyano-1-[(1S)-1-phenylethyl]-4,5,6,7-tetrahydroindol-2-yl]benzamide?
The InChIKey is UARVERWRYWHCFQ-KRWDZBQOSA-N. The full InChI is InChI=1S/C24H23N3O/c1-17(18-10-4-2-5-11-18)27-22-15-9-8-14-20(22)21(16-25)23(27)26-24(28)19-12-6-3-7-13-19/h2-7,10-13,17H,8-9,14-15H2,1H3,(H,26,28)/t17-/m0/s1.
What are the key properties of N-[3-cyano-1-[(1S)-1-phenylethyl]-4,5,6,7-tetrahydroindol-2-yl]benzamide?
N-[3-cyano-1-[(1S)-1-phenylethyl]-4,5,6,7-tetrahydroindol-2-yl]benzamide has a molecular weight of 369.47 g/mol, XLogP of 5.10, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-cyano-1-[(1S)-1-phenylethyl]-4,5,6,7-tetrahydroindol-2-yl]benzamide is sourced from PubChem (CID 10499341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).