N-ethyl-4-(1H-indol-5-yl)-N-[[(3R)-pyrrolidin-3-yl]methyl]benzamide

C22H25N3O — CID 71276788

IUPACN-ethyl-4-(1H-indol-5-yl)-N-[[(3R)-pyrrolidin-3-yl]methyl]benzamide
SMILESCCN(C[C@@H]1CCNC1)C(=O)c1ccc(-c2ccc3[nH]ccc3c2)cc1
InChIInChI=1S/C22H25N3O/c1-2-25(15-16-9-11-23-14-16)22(26)18-5-3-17(4-6-18)19-7-8-21-20(13-19)10-12-24-21/h3-8,10,12-13,16,23-24H,2,9,11,14-15H2,1H3/t16-/m1/s1
InChIKeyKIVRDNUFFWNBRP-MRXNPFEDSA-N
MW347.46 g/mol
LogP3.91
Rot. Bonds5

About N-ethyl-4-(1H-indol-5-yl)-N-[[(3R)-pyrrolidin-3-yl]methyl]benzamide

N-ethyl-4-(1H-indol-5-yl)-N-[[(3R)-pyrrolidin-3-yl]methyl]benzamide (PubChem CID 71276788) has the molecular formula C22H25N3O and a molecular weight of 347.46 g/mol. Its IUPAC name is N-ethyl-4-(1H-indol-5-yl)-N-[[(3R)-pyrrolidin-3-yl]methyl]benzamide.

Molecular Properties

Compound NameN-ethyl-4-(1H-indol-5-yl)-N-[[(3R)-pyrrolidin-3-yl]methyl]benzamide
PubChem CID71276788
Molecular FormulaC22H25N3O
Molecular Weight347.46 g/mol
Exact Mass347.20
IUPAC NameN-ethyl-4-(1H-indol-5-yl)-N-[[(3R)-pyrrolidin-3-yl]methyl]benzamide
SMILESCCN(C[C@@H]1CCNC1)C(=O)c1ccc(-c2ccc3[nH]ccc3c2)cc1
InChIInChI=1S/C22H25N3O/c1-2-25(15-16-9-11-23-14-16)22(26)18-5-3-17(4-6-18)19-7-8-21-20(13-19)10-12-24-21/h3-8,10,12-13,16,23-24H,2,9,11,14-15H2,1H3/t16-/m1/s1
InChIKeyKIVRDNUFFWNBRP-MRXNPFEDSA-N
XLogP3.91
TPSA48.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-(1H-indol-5-yl)-N-[[(3R)-pyrrolidin-3-yl]methyl]benzamide?
The IUPAC name of N-ethyl-4-(1H-indol-5-yl)-N-[[(3R)-pyrrolidin-3-yl]methyl]benzamide (CID 71276788) is N-ethyl-4-(1H-indol-5-yl)-N-[[(3R)-pyrrolidin-3-yl]methyl]benzamide.
What is the SMILES notation for N-ethyl-4-(1H-indol-5-yl)-N-[[(3R)-pyrrolidin-3-yl]methyl]benzamide?
The canonical SMILES for N-ethyl-4-(1H-indol-5-yl)-N-[[(3R)-pyrrolidin-3-yl]methyl]benzamide is CCN(C[C@@H]1CCNC1)C(=O)c1ccc(-c2ccc3[nH]ccc3c2)cc1.
What is the InChIKey of N-ethyl-4-(1H-indol-5-yl)-N-[[(3R)-pyrrolidin-3-yl]methyl]benzamide?
The InChIKey is KIVRDNUFFWNBRP-MRXNPFEDSA-N. The full InChI is InChI=1S/C22H25N3O/c1-2-25(15-16-9-11-23-14-16)22(26)18-5-3-17(4-6-18)19-7-8-21-20(13-19)10-12-24-21/h3-8,10,12-13,16,23-24H,2,9,11,14-15H2,1H3/t16-/m1/s1.
What are the key properties of N-ethyl-4-(1H-indol-5-yl)-N-[[(3R)-pyrrolidin-3-yl]methyl]benzamide?
N-ethyl-4-(1H-indol-5-yl)-N-[[(3R)-pyrrolidin-3-yl]methyl]benzamide has a molecular weight of 347.46 g/mol, XLogP of 3.91, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-(1H-indol-5-yl)-N-[[(3R)-pyrrolidin-3-yl]methyl]benzamide is sourced from PubChem (CID 71276788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).