N-[1-(1,3-benzodioxol-5-yl)cyclopentyl]-3-(tetrazol-1-yl)benzamide

C20H19N5O3 — CID 95807011

IUPACN-[1-(1,3-benzodioxol-5-yl)cyclopentyl]-3-(tetrazol-1-yl)benzamide
SMILESO=C(NC1(c2ccc3c(c2)OCO3)CCCC1)c1cccc(-n2cnnn2)c1
InChIInChI=1S/C20H19N5O3/c26-19(14-4-3-5-16(10-14)25-12-21-23-24-25)22-20(8-1-2-9-20)15-6-7-17-18(11-15)28-13-27-17/h3-7,10-12H,1-2,8-9,13H2,(H,22,26)
InChIKeyHNEJHRWDKGNBLI-UHFFFAOYSA-N
MW377.40 g/mol
LogP2.59
Rot. Bonds4

About N-[1-(1,3-benzodioxol-5-yl)cyclopentyl]-3-(tetrazol-1-yl)benzamide

N-[1-(1,3-benzodioxol-5-yl)cyclopentyl]-3-(tetrazol-1-yl)benzamide (PubChem CID 95807011) has the molecular formula C20H19N5O3 and a molecular weight of 377.40 g/mol. Its IUPAC name is N-[1-(1,3-benzodioxol-5-yl)cyclopentyl]-3-(tetrazol-1-yl)benzamide.

Molecular Properties

Compound NameN-[1-(1,3-benzodioxol-5-yl)cyclopentyl]-3-(tetrazol-1-yl)benzamide
PubChem CID95807011
Molecular FormulaC20H19N5O3
Molecular Weight377.40 g/mol
Exact Mass377.15
IUPAC NameN-[1-(1,3-benzodioxol-5-yl)cyclopentyl]-3-(tetrazol-1-yl)benzamide
SMILESO=C(NC1(c2ccc3c(c2)OCO3)CCCC1)c1cccc(-n2cnnn2)c1
InChIInChI=1S/C20H19N5O3/c26-19(14-4-3-5-16(10-14)25-12-21-23-24-25)22-20(8-1-2-9-20)15-6-7-17-18(11-15)28-13-27-17/h3-7,10-12H,1-2,8-9,13H2,(H,22,26)
InChIKeyHNEJHRWDKGNBLI-UHFFFAOYSA-N
XLogP2.59
TPSA91.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.40
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(1-phenylcyclobutyl)-3-(tetrazol-1-yl)benzamide
CID 51273111
N-(1,3-benzodioxol-5-ylmethyl)-3-(tetrazol-1-yl)benzamide
CID 26911241
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(tetrazol-1-yl)benzamide
CID 862147
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]-3-(tetrazol-1-yl)benzamide
CID 51206366
N-[(1-phenylcyclopropyl)methyl]-3-(tetrazol-1-yl)benzamide
CID 51317271
3-bromo-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]benzamide
CID 113091256
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]benzamide
CID 113091248
N-(cyclohexylmethyl)-3-(tetrazol-1-yl)benzamide
CID 42997884
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-(tetrazol-1-yl)benzamide
CID 47005048
N'-[3-(tetrazol-1-yl)phenyl]sulfonyl-2,3-dihydro-1,4-benzodioxine-6-carbohydrazide
CID 47784702
N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-3-(tetrazol-1-yl)benzamide
CID 39952228
N-(dicyclopropylmethyl)-3-(tetrazol-1-yl)benzamide
CID 25492900

Frequently Asked Questions

What is the IUPAC name of N-[1-(1,3-benzodioxol-5-yl)cyclopentyl]-3-(tetrazol-1-yl)benzamide?
The IUPAC name of N-[1-(1,3-benzodioxol-5-yl)cyclopentyl]-3-(tetrazol-1-yl)benzamide (CID 95807011) is N-[1-(1,3-benzodioxol-5-yl)cyclopentyl]-3-(tetrazol-1-yl)benzamide.
What is the SMILES notation for N-[1-(1,3-benzodioxol-5-yl)cyclopentyl]-3-(tetrazol-1-yl)benzamide?
The canonical SMILES for N-[1-(1,3-benzodioxol-5-yl)cyclopentyl]-3-(tetrazol-1-yl)benzamide is O=C(NC1(c2ccc3c(c2)OCO3)CCCC1)c1cccc(-n2cnnn2)c1.
What is the InChIKey of N-[1-(1,3-benzodioxol-5-yl)cyclopentyl]-3-(tetrazol-1-yl)benzamide?
The InChIKey is HNEJHRWDKGNBLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O3/c26-19(14-4-3-5-16(10-14)25-12-21-23-24-25)22-20(8-1-2-9-20)15-6-7-17-18(11-15)28-13-27-17/h3-7,10-12H,1-2,8-9,13H2,(H,22,26).
What are the key properties of N-[1-(1,3-benzodioxol-5-yl)cyclopentyl]-3-(tetrazol-1-yl)benzamide?
N-[1-(1,3-benzodioxol-5-yl)cyclopentyl]-3-(tetrazol-1-yl)benzamide has a molecular weight of 377.40 g/mol, XLogP of 2.59, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1,3-benzodioxol-5-yl)cyclopentyl]-3-(tetrazol-1-yl)benzamide is sourced from PubChem (CID 95807011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).