N-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-4-(2,3-dihydroindol-1-ylmethyl)benzamide

C23H26N2O — CID 125042170

IUPACN-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-4-(2,3-dihydroindol-1-ylmethyl)benzamide
SMILESO=C(N[C@H]1C[C@H]2CC[C@H]1C2)c1ccc(CN2CCc3ccccc32)cc1
InChIInChI=1S/C23H26N2O/c26-23(24-21-14-17-7-10-20(21)13-17)19-8-5-16(6-9-19)15-25-12-11-18-3-1-2-4-22(18)25/h1-6,8-9,17,20-21H,7,10-15H2,(H,24,26)/t17-,20-,21-/m0/s1
InChIKeyKDSSEBLOISMXHT-YYWHXJBOSA-N
MW346.47 g/mol
LogP4.17
Rot. Bonds4

About N-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-4-(2,3-dihydroindol-1-ylmethyl)benzamide

N-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-4-(2,3-dihydroindol-1-ylmethyl)benzamide (PubChem CID 125042170) has the molecular formula C23H26N2O and a molecular weight of 346.47 g/mol. Its IUPAC name is N-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-4-(2,3-dihydroindol-1-ylmethyl)benzamide.

Molecular Properties

Compound NameN-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-4-(2,3-dihydroindol-1-ylmethyl)benzamide
PubChem CID125042170
Molecular FormulaC23H26N2O
Molecular Weight346.47 g/mol
Exact Mass346.20
IUPAC NameN-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-4-(2,3-dihydroindol-1-ylmethyl)benzamide
SMILESO=C(N[C@H]1C[C@H]2CC[C@H]1C2)c1ccc(CN2CCc3ccccc32)cc1
InChIInChI=1S/C23H26N2O/c26-23(24-21-14-17-7-10-20(21)13-17)19-8-5-16(6-9-19)15-25-12-11-18-3-1-2-4-22(18)25/h1-6,8-9,17,20-21H,7,10-15H2,(H,24,26)/t17-,20-,21-/m0/s1
InChIKeyKDSSEBLOISMXHT-YYWHXJBOSA-N
XLogP4.17
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.47
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-4-(2,3-dihydroindol-1-ylmethyl)benzamide?
The IUPAC name of N-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-4-(2,3-dihydroindol-1-ylmethyl)benzamide (CID 125042170) is N-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-4-(2,3-dihydroindol-1-ylmethyl)benzamide.
What is the SMILES notation for N-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-4-(2,3-dihydroindol-1-ylmethyl)benzamide?
The canonical SMILES for N-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-4-(2,3-dihydroindol-1-ylmethyl)benzamide is O=C(N[C@H]1C[C@H]2CC[C@H]1C2)c1ccc(CN2CCc3ccccc32)cc1.
What is the InChIKey of N-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-4-(2,3-dihydroindol-1-ylmethyl)benzamide?
The InChIKey is KDSSEBLOISMXHT-YYWHXJBOSA-N. The full InChI is InChI=1S/C23H26N2O/c26-23(24-21-14-17-7-10-20(21)13-17)19-8-5-16(6-9-19)15-25-12-11-18-3-1-2-4-22(18)25/h1-6,8-9,17,20-21H,7,10-15H2,(H,24,26)/t17-,20-,21-/m0/s1.
What are the key properties of N-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-4-(2,3-dihydroindol-1-ylmethyl)benzamide?
N-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-4-(2,3-dihydroindol-1-ylmethyl)benzamide has a molecular weight of 346.47 g/mol, XLogP of 4.17, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-4-(2,3-dihydroindol-1-ylmethyl)benzamide is sourced from PubChem (CID 125042170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).