3-[1-(1H-indol-3-ylmethyl)pyrrolidin-3-yl]benzamide

C20H21N3O — CID 155258172

IUPAC3-[1-(1H-indol-3-ylmethyl)pyrrolidin-3-yl]benzamide
SMILESNC(=O)c1cccc(C2CCN(Cc3c[nH]c4ccccc34)C2)c1
InChIInChI=1S/C20H21N3O/c21-20(24)15-5-3-4-14(10-15)16-8-9-23(12-16)13-17-11-22-19-7-2-1-6-18(17)19/h1-7,10-11,16,22H,8-9,12-13H2,(H2,21,24)
InChIKeySRXNUJNCZXSLSE-UHFFFAOYSA-N
MW319.41 g/mol
LogP3.26
Rot. Bonds4

About 3-[1-(1H-indol-3-ylmethyl)pyrrolidin-3-yl]benzamide

3-[1-(1H-indol-3-ylmethyl)pyrrolidin-3-yl]benzamide (PubChem CID 155258172) has the molecular formula C20H21N3O and a molecular weight of 319.41 g/mol. Its IUPAC name is 3-[1-(1H-indol-3-ylmethyl)pyrrolidin-3-yl]benzamide.

Molecular Properties

Compound Name3-[1-(1H-indol-3-ylmethyl)pyrrolidin-3-yl]benzamide
PubChem CID155258172
Molecular FormulaC20H21N3O
Molecular Weight319.41 g/mol
Exact Mass319.17
IUPAC Name3-[1-(1H-indol-3-ylmethyl)pyrrolidin-3-yl]benzamide
SMILESNC(=O)c1cccc(C2CCN(Cc3c[nH]c4ccccc34)C2)c1
InChIInChI=1S/C20H21N3O/c21-20(24)15-5-3-4-14(10-15)16-8-9-23(12-16)13-17-11-22-19-7-2-1-6-18(17)19/h1-7,10-11,16,22H,8-9,12-13H2,(H2,21,24)
InChIKeySRXNUJNCZXSLSE-UHFFFAOYSA-N
XLogP3.26
TPSA62.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-[1-(1H-indol-3-ylmethyl)pyrrolidin-3-yl]phenyl]cyclobutanesulfinamide
CID 155258130
3-[[3-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]methyl]-1H-indole
CID 155258071
5-[1-(1H-indol-3-ylmethyl)pyrrolidin-3-yl]-2-methylbenzenethiol
CID 155258161
3-(1H-indol-3-ylmethylamino)benzamide
CID 60680190
N-[3-[1-(1H-indol-3-ylmethyl)pyrrolidin-3-yl]phenyl]-1,3-oxazole-2-sulfonamide
CID 155258102
N-[3-[1-(1H-indol-3-ylmethyl)pyrrolidin-3-yl]phenyl]-1,3-oxazole-5-sulfonamide
CID 155258209
deuterioethane;3-[1-(1H-indol-3-ylmethyl)pyrrolidin-3-yl]phenol;3-[[3-(3-methoxyphenyl)pyrrolidin-1-yl]methyl]-1H-indole;tribromoborane
CID 158056167
3-[2-(1H-indol-3-ylmethyl)-2-azabicyclo[3.3.1]nonan-5-yl]benzamide
CID 11749126
4-[1-(1H-indol-3-ylmethyl)pyrrolidin-3-yl]-1,3-dihydrobenzimidazol-2-one
CID 155258244
3-[[3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methyl]-1H-indole
CID 127247080
N-(3-carbamoylphenyl)-1-(1H-indol-3-ylmethyl)-5-oxopyrrolidine-2-carboxamide
CID 91955626
azepan-1-yl-[(3R)-1-(1H-indol-3-ylmethyl)piperidin-3-yl]methanone
CID 898620

Frequently Asked Questions

What is the IUPAC name of 3-[1-(1H-indol-3-ylmethyl)pyrrolidin-3-yl]benzamide?
The IUPAC name of 3-[1-(1H-indol-3-ylmethyl)pyrrolidin-3-yl]benzamide (CID 155258172) is 3-[1-(1H-indol-3-ylmethyl)pyrrolidin-3-yl]benzamide.
What is the SMILES notation for 3-[1-(1H-indol-3-ylmethyl)pyrrolidin-3-yl]benzamide?
The canonical SMILES for 3-[1-(1H-indol-3-ylmethyl)pyrrolidin-3-yl]benzamide is NC(=O)c1cccc(C2CCN(Cc3c[nH]c4ccccc34)C2)c1.
What is the InChIKey of 3-[1-(1H-indol-3-ylmethyl)pyrrolidin-3-yl]benzamide?
The InChIKey is SRXNUJNCZXSLSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O/c21-20(24)15-5-3-4-14(10-15)16-8-9-23(12-16)13-17-11-22-19-7-2-1-6-18(17)19/h1-7,10-11,16,22H,8-9,12-13H2,(H2,21,24).
What are the key properties of 3-[1-(1H-indol-3-ylmethyl)pyrrolidin-3-yl]benzamide?
3-[1-(1H-indol-3-ylmethyl)pyrrolidin-3-yl]benzamide has a molecular weight of 319.41 g/mol, XLogP of 3.26, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(1H-indol-3-ylmethyl)pyrrolidin-3-yl]benzamide is sourced from PubChem (CID 155258172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).