2-[5-(3-chlorophenyl)tetrazol-2-yl]-N-(1-cyanocyclopentyl)acetamide

C15H15ClN6O — CID 7490896

IUPAC2-[5-(3-chlorophenyl)tetrazol-2-yl]-N-(1-cyanocyclopentyl)acetamide
SMILESN#CC1(NC(=O)Cn2nnc(-c3cccc(Cl)c3)n2)CCCC1
InChIInChI=1S/C15H15ClN6O/c16-12-5-3-4-11(8-12)14-19-21-22(20-14)9-13(23)18-15(10-17)6-1-2-7-15/h3-5,8H,1-2,6-7,9H2,(H,18,23)
InChIKeyQRBPCYUZTJDCEU-UHFFFAOYSA-N
MW330.78 g/mol
LogP1.95
Rot. Bonds4

About 2-[5-(3-chlorophenyl)tetrazol-2-yl]-N-(1-cyanocyclopentyl)acetamide

2-[5-(3-chlorophenyl)tetrazol-2-yl]-N-(1-cyanocyclopentyl)acetamide (PubChem CID 7490896) has the molecular formula C15H15ClN6O and a molecular weight of 330.78 g/mol. Its IUPAC name is 2-[5-(3-chlorophenyl)tetrazol-2-yl]-N-(1-cyanocyclopentyl)acetamide.

Molecular Properties

Compound Name2-[5-(3-chlorophenyl)tetrazol-2-yl]-N-(1-cyanocyclopentyl)acetamide
PubChem CID7490896
Molecular FormulaC15H15ClN6O
Molecular Weight330.78 g/mol
Exact Mass330.10
IUPAC Name2-[5-(3-chlorophenyl)tetrazol-2-yl]-N-(1-cyanocyclopentyl)acetamide
SMILESN#CC1(NC(=O)Cn2nnc(-c3cccc(Cl)c3)n2)CCCC1
InChIInChI=1S/C15H15ClN6O/c16-12-5-3-4-11(8-12)14-19-21-22(20-14)9-13(23)18-15(10-17)6-1-2-7-15/h3-5,8H,1-2,6-7,9H2,(H,18,23)
InChIKeyQRBPCYUZTJDCEU-UHFFFAOYSA-N
XLogP1.95
TPSA96.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.78
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1-cyanocyclopentyl)-2-(5-phenyltetrazol-2-yl)acetamide
CID 4825124
N-(1-cyanocyclopropyl)-2-(5-phenyltetrazol-2-yl)acetamide
CID 154801764
N-(1-cyanocyclopentyl)-2-[5-(4-propan-2-ylphenyl)tetrazol-2-yl]acetamide
CID 7589056
2-[5-(3-chlorophenyl)tetrazol-2-yl]-N-[(2R)-3-methylbutan-2-yl]acetamide
CID 7490582
2-[5-(3-chlorophenyl)tetrazol-2-yl]-N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 24558208
2-[5-(3-chlorophenyl)tetrazol-2-yl]-N-[(1R)-1-phenylethyl]acetamide
CID 7490847
ethyl N-[2-[5-(3-chlorophenyl)tetrazol-2-yl]acetyl]carbamate
CID 7490658
2-[[5-(3-chlorophenyl)tetrazol-2-yl]methyl]prop-2-enoic acid
CID 144719815
N-[(1-hydroxycyclohexyl)methyl]-2-(5-phenyltetrazol-2-yl)acetamide
CID 111445934
N-[1-(aminomethyl)cyclopentyl]-2-[5-(4-chlorophenyl)tetrazol-2-yl]acetamide;hydrochloride
CID 126777112
N-[1-(aminomethyl)cyclopentyl]-2-(5-phenyltetrazol-2-yl)acetamide;hydrochloride
CID 119567346
2-[5-(3-chlorophenyl)tetrazol-2-yl]-N-[(2S)-4-phenylbutan-2-yl]acetamide
CID 7490784

Frequently Asked Questions

What is the IUPAC name of 2-[5-(3-chlorophenyl)tetrazol-2-yl]-N-(1-cyanocyclopentyl)acetamide?
The IUPAC name of 2-[5-(3-chlorophenyl)tetrazol-2-yl]-N-(1-cyanocyclopentyl)acetamide (CID 7490896) is 2-[5-(3-chlorophenyl)tetrazol-2-yl]-N-(1-cyanocyclopentyl)acetamide.
What is the SMILES notation for 2-[5-(3-chlorophenyl)tetrazol-2-yl]-N-(1-cyanocyclopentyl)acetamide?
The canonical SMILES for 2-[5-(3-chlorophenyl)tetrazol-2-yl]-N-(1-cyanocyclopentyl)acetamide is N#CC1(NC(=O)Cn2nnc(-c3cccc(Cl)c3)n2)CCCC1.
What is the InChIKey of 2-[5-(3-chlorophenyl)tetrazol-2-yl]-N-(1-cyanocyclopentyl)acetamide?
The InChIKey is QRBPCYUZTJDCEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN6O/c16-12-5-3-4-11(8-12)14-19-21-22(20-14)9-13(23)18-15(10-17)6-1-2-7-15/h3-5,8H,1-2,6-7,9H2,(H,18,23).
What are the key properties of 2-[5-(3-chlorophenyl)tetrazol-2-yl]-N-(1-cyanocyclopentyl)acetamide?
2-[5-(3-chlorophenyl)tetrazol-2-yl]-N-(1-cyanocyclopentyl)acetamide has a molecular weight of 330.78 g/mol, XLogP of 1.95, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(3-chlorophenyl)tetrazol-2-yl]-N-(1-cyanocyclopentyl)acetamide is sourced from PubChem (CID 7490896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).