N-[2-(2-chlorophenyl)ethyl]-2-[5-(pyrrolidin-1-ylmethyl)tetrazol-1-yl]acetamide

C16H21ClN6O — CID 42158113

IUPACN-[2-(2-chlorophenyl)ethyl]-2-[5-(pyrrolidin-1-ylmethyl)tetrazol-1-yl]acetamide
SMILESO=C(Cn1nnnc1CN1CCCC1)NCCc1ccccc1Cl
InChIInChI=1S/C16H21ClN6O/c17-14-6-2-1-5-13(14)7-8-18-16(24)12-23-15(19-20-21-23)11-22-9-3-4-10-22/h1-2,5-6H,3-4,7-12H2,(H,18,24)
InChIKeyDSPFGHPUBPRZOC-UHFFFAOYSA-N
MW348.84 g/mol
LogP1.28
Rot. Bonds7

About N-[2-(2-chlorophenyl)ethyl]-2-[5-(pyrrolidin-1-ylmethyl)tetrazol-1-yl]acetamide

N-[2-(2-chlorophenyl)ethyl]-2-[5-(pyrrolidin-1-ylmethyl)tetrazol-1-yl]acetamide (PubChem CID 42158113) has the molecular formula C16H21ClN6O and a molecular weight of 348.84 g/mol. Its IUPAC name is N-[2-(2-chlorophenyl)ethyl]-2-[5-(pyrrolidin-1-ylmethyl)tetrazol-1-yl]acetamide.

Molecular Properties

Compound NameN-[2-(2-chlorophenyl)ethyl]-2-[5-(pyrrolidin-1-ylmethyl)tetrazol-1-yl]acetamide
PubChem CID42158113
Molecular FormulaC16H21ClN6O
Molecular Weight348.84 g/mol
Exact Mass348.15
IUPAC NameN-[2-(2-chlorophenyl)ethyl]-2-[5-(pyrrolidin-1-ylmethyl)tetrazol-1-yl]acetamide
SMILESO=C(Cn1nnnc1CN1CCCC1)NCCc1ccccc1Cl
InChIInChI=1S/C16H21ClN6O/c17-14-6-2-1-5-13(14)7-8-18-16(24)12-23-15(19-20-21-23)11-22-9-3-4-10-22/h1-2,5-6H,3-4,7-12H2,(H,18,24)
InChIKeyDSPFGHPUBPRZOC-UHFFFAOYSA-N
XLogP1.28
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.84
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2,3-dihydro-1H-inden-2-yl)-2-[5-(pyrrolidin-1-ylmethyl)tetrazol-1-yl]acetamide
CID 26412938
N-[3-(1,3-dihydroisoindol-2-yl)propyl]-2-[5-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)tetrazol-1-yl]acetamide
CID 25380891
2-[5-(azepan-1-ylmethyl)tetrazol-1-yl]-N-[2-(3-hydroxypiperidin-1-yl)ethyl]acetamide
CID 45181738
N-(1-benzylpiperidin-3-yl)-2-[5-(pyrrolidin-1-ylmethyl)tetrazol-1-yl]acetamide
CID 45250145
2-[5-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)tetrazol-1-yl]-N-[2-(2-methyl-1,2,4-triazol-3-yl)ethyl]acetamide
CID 72873378
2-[5-(pyrrolidin-1-ylmethyl)tetrazol-1-yl]-N-[(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)methyl]acetamide
CID 72912535
2-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]acetamide
CID 72879777
N-(1-benzylpiperidin-3-yl)-2-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]acetamide
CID 45174100
N-[(2S)-1-(3-methyl-2-pyridinyl)propan-2-yl]-2-[5-(pyrrolidin-1-ylmethyl)tetrazol-1-yl]acetamide
CID 25287941
N-[1-[2-[2-(2-chlorophenyl)ethylamino]-2-oxoethyl]triazol-4-yl]-2-methylpropanamide
CID 112529458
3-amino-N-[2-(2-chlorophenyl)ethyl]propanamide
CID 94684846
2-[5-(azepan-1-ylmethyl)tetrazol-1-yl]-N-[(2R)-2-hydroxy-2-phenylethyl]-N-methylacetamide
CID 26400539

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chlorophenyl)ethyl]-2-[5-(pyrrolidin-1-ylmethyl)tetrazol-1-yl]acetamide?
The IUPAC name of N-[2-(2-chlorophenyl)ethyl]-2-[5-(pyrrolidin-1-ylmethyl)tetrazol-1-yl]acetamide (CID 42158113) is N-[2-(2-chlorophenyl)ethyl]-2-[5-(pyrrolidin-1-ylmethyl)tetrazol-1-yl]acetamide.
What is the SMILES notation for N-[2-(2-chlorophenyl)ethyl]-2-[5-(pyrrolidin-1-ylmethyl)tetrazol-1-yl]acetamide?
The canonical SMILES for N-[2-(2-chlorophenyl)ethyl]-2-[5-(pyrrolidin-1-ylmethyl)tetrazol-1-yl]acetamide is O=C(Cn1nnnc1CN1CCCC1)NCCc1ccccc1Cl.
What is the InChIKey of N-[2-(2-chlorophenyl)ethyl]-2-[5-(pyrrolidin-1-ylmethyl)tetrazol-1-yl]acetamide?
The InChIKey is DSPFGHPUBPRZOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN6O/c17-14-6-2-1-5-13(14)7-8-18-16(24)12-23-15(19-20-21-23)11-22-9-3-4-10-22/h1-2,5-6H,3-4,7-12H2,(H,18,24).
What are the key properties of N-[2-(2-chlorophenyl)ethyl]-2-[5-(pyrrolidin-1-ylmethyl)tetrazol-1-yl]acetamide?
N-[2-(2-chlorophenyl)ethyl]-2-[5-(pyrrolidin-1-ylmethyl)tetrazol-1-yl]acetamide has a molecular weight of 348.84 g/mol, XLogP of 1.28, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-chlorophenyl)ethyl]-2-[5-(pyrrolidin-1-ylmethyl)tetrazol-1-yl]acetamide is sourced from PubChem (CID 42158113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).