5-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-(tetrazol-1-yl)benzamide

C17H14ClN5O3 — CID 39918772

IUPAC5-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-(tetrazol-1-yl)benzamide
SMILESO=C(NCc1ccc2c(c1)OCCO2)c1cc(Cl)ccc1-n1cnnn1
InChIInChI=1S/C17H14ClN5O3/c18-12-2-3-14(23-10-20-21-22-23)13(8-12)17(24)19-9-11-1-4-15-16(7-11)26-6-5-25-15/h1-4,7-8,10H,5-6,9H2,(H,19,24)
InChIKeyQQWYLRNIOLMSGC-UHFFFAOYSA-N
MW371.78 g/mol
LogP2.02
Rot. Bonds4

About 5-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-(tetrazol-1-yl)benzamide

5-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-(tetrazol-1-yl)benzamide (PubChem CID 39918772) has the molecular formula C17H14ClN5O3 and a molecular weight of 371.78 g/mol. Its IUPAC name is 5-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-(tetrazol-1-yl)benzamide.

Molecular Properties

Compound Name5-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-(tetrazol-1-yl)benzamide
PubChem CID39918772
Molecular FormulaC17H14ClN5O3
Molecular Weight371.78 g/mol
Exact Mass371.08
IUPAC Name5-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-(tetrazol-1-yl)benzamide
SMILESO=C(NCc1ccc2c(c1)OCCO2)c1cc(Cl)ccc1-n1cnnn1
InChIInChI=1S/C17H14ClN5O3/c18-12-2-3-14(23-10-20-21-22-23)13(8-12)17(24)19-9-11-1-4-15-16(7-11)26-6-5-25-15/h1-4,7-8,10H,5-6,9H2,(H,19,24)
InChIKeyQQWYLRNIOLMSGC-UHFFFAOYSA-N
XLogP2.02
TPSA91.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.78
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 5-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-(tetrazol-1-yl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(3-chlorophenyl)methyl]-2-(tetrazol-1-yl)benzamide
CID 9208938
N-(1,3-benzodioxol-5-ylmethyl)-3-(tetrazol-1-yl)benzamide
CID 26911241
5-chloro-N-[(4-methyl-2-pyrrolidin-1-ylphenyl)methyl]-2-(tetrazol-1-yl)benzamide
CID 167941397
N-(1,3-benzodioxol-5-ylmethyl)-2,4-dichlorobenzamide
CID 673796
5-chloro-N-(pyrrolidin-2-ylmethyl)-2-(tetrazol-1-yl)benzamide;hydrochloride
CID 119509965
5-chloro-N-[(1-methylbenzimidazol-2-yl)methyl]-2-(tetrazol-1-yl)benzamide
CID 55668878
5-bromo-N-[(4-fluorophenyl)methyl]-2-(tetrazol-1-yl)benzamide
CID 42569387
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2,3,4,5-tetrafluorobenzamide
CID 112794847
5-chloro-N-(1-methylpyrazol-4-yl)-2-(tetrazol-1-yl)benzamide
CID 32609786
1-(3-chlorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 32937999
5-fluoro-N-(pyridin-4-ylmethyl)-2-(tetrazol-1-yl)benzamide
CID 42535796
(2S)-2-[[2-[[5-chloro-2-(tetrazol-1-yl)benzoyl]amino]acetyl]amino]-4-methylpentanoic acid
CID 120694899

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-(tetrazol-1-yl)benzamide?
The IUPAC name of 5-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-(tetrazol-1-yl)benzamide (CID 39918772) is 5-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-(tetrazol-1-yl)benzamide.
What is the SMILES notation for 5-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-(tetrazol-1-yl)benzamide?
The canonical SMILES for 5-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-(tetrazol-1-yl)benzamide is O=C(NCc1ccc2c(c1)OCCO2)c1cc(Cl)ccc1-n1cnnn1.
What is the InChIKey of 5-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-(tetrazol-1-yl)benzamide?
The InChIKey is QQWYLRNIOLMSGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN5O3/c18-12-2-3-14(23-10-20-21-22-23)13(8-12)17(24)19-9-11-1-4-15-16(7-11)26-6-5-25-15/h1-4,7-8,10H,5-6,9H2,(H,19,24).
What are the key properties of 5-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-(tetrazol-1-yl)benzamide?
5-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-(tetrazol-1-yl)benzamide has a molecular weight of 371.78 g/mol, XLogP of 2.02, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-(tetrazol-1-yl)benzamide is sourced from PubChem (CID 39918772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).