N-[(2S)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-3-(tetrazol-1-yl)benzamide

C21H24N6O2 — CID 2472228

IUPACN-[(2S)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-3-(tetrazol-1-yl)benzamide
SMILESCOc1ccccc1[C@@H](CNC(=O)c1cccc(-n2cnnn2)c1)N1CCCC1
InChIInChI=1S/C21H24N6O2/c1-29-20-10-3-2-9-18(20)19(26-11-4-5-12-26)14-22-21(28)16-7-6-8-17(13-16)27-15-23-24-25-27/h2-3,6-10,13,15,19H,4-5,11-12,14H2,1H3,(H,22,28)/t19-/m1/s1
InChIKeyQCLYPWBZOUNYLD-LJQANCHMSA-N
MW392.46 g/mol
LogP2.24
Rot. Bonds7

About N-[(2S)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-3-(tetrazol-1-yl)benzamide

N-[(2S)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-3-(tetrazol-1-yl)benzamide (PubChem CID 2472228) has the molecular formula C21H24N6O2 and a molecular weight of 392.46 g/mol. Its IUPAC name is N-[(2S)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-3-(tetrazol-1-yl)benzamide.

Molecular Properties

Compound NameN-[(2S)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-3-(tetrazol-1-yl)benzamide
PubChem CID2472228
Molecular FormulaC21H24N6O2
Molecular Weight392.46 g/mol
Exact Mass392.20
IUPAC NameN-[(2S)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-3-(tetrazol-1-yl)benzamide
SMILESCOc1ccccc1[C@@H](CNC(=O)c1cccc(-n2cnnn2)c1)N1CCCC1
InChIInChI=1S/C21H24N6O2/c1-29-20-10-3-2-9-18(20)19(26-11-4-5-12-26)14-22-21(28)16-7-6-8-17(13-16)27-15-23-24-25-27/h2-3,6-10,13,15,19H,4-5,11-12,14H2,1H3,(H,22,28)/t19-/m1/s1
InChIKeyQCLYPWBZOUNYLD-LJQANCHMSA-N
XLogP2.24
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(2R)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-3-(tetrazol-1-yl)benzamide
CID 2472231
3-fluoro-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide
CID 43006303
3-chloro-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide
CID 46422201
3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide
CID 55523206
N-[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-3-(tetrazol-1-yl)benzamide
CID 25495794
3-methoxy-N-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]-4-methylbenzamide
CID 60533969
methyl 4-[[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]carbamoyl]benzoate
CID 60533855
N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-3-piperidin-1-ylsulfonylbenzamide
CID 43006287
3-(methanesulfonamido)-N-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]benzamide
CID 55950743
3-fluoro-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-4-methylbenzamide
CID 43044899
N-[(2S)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]furan-3-carboxamide
CID 30522983
N-[2-[[(2S)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]amino]-2-oxoethyl]benzamide
CID 34937128

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-3-(tetrazol-1-yl)benzamide?
The IUPAC name of N-[(2S)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-3-(tetrazol-1-yl)benzamide (CID 2472228) is N-[(2S)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-3-(tetrazol-1-yl)benzamide.
What is the SMILES notation for N-[(2S)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-3-(tetrazol-1-yl)benzamide?
The canonical SMILES for N-[(2S)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-3-(tetrazol-1-yl)benzamide is COc1ccccc1[C@@H](CNC(=O)c1cccc(-n2cnnn2)c1)N1CCCC1.
What is the InChIKey of N-[(2S)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-3-(tetrazol-1-yl)benzamide?
The InChIKey is QCLYPWBZOUNYLD-LJQANCHMSA-N. The full InChI is InChI=1S/C21H24N6O2/c1-29-20-10-3-2-9-18(20)19(26-11-4-5-12-26)14-22-21(28)16-7-6-8-17(13-16)27-15-23-24-25-27/h2-3,6-10,13,15,19H,4-5,11-12,14H2,1H3,(H,22,28)/t19-/m1/s1.
What are the key properties of N-[(2S)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-3-(tetrazol-1-yl)benzamide?
N-[(2S)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-3-(tetrazol-1-yl)benzamide has a molecular weight of 392.46 g/mol, XLogP of 2.24, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-3-(tetrazol-1-yl)benzamide is sourced from PubChem (CID 2472228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).