2-chloro-N-[(4-hydroxypyrrolidin-3-yl)methyl]-4-(tetrazol-1-yl)benzamide

C13H15ClN6O2 — CID 120945715

IUPAC2-chloro-N-[(4-hydroxypyrrolidin-3-yl)methyl]-4-(tetrazol-1-yl)benzamide
SMILESO=C(NCC1CNCC1O)c1ccc(-n2cnnn2)cc1Cl
InChIInChI=1S/C13H15ClN6O2/c14-11-3-9(20-7-17-18-19-20)1-2-10(11)13(22)16-5-8-4-15-6-12(8)21/h1-3,7-8,12,15,21H,4-6H2,(H,16,22)
InChIKeyJSGNJYGOIFYGDI-UHFFFAOYSA-N
MW322.76 g/mol
LogP-0.37
Rot. Bonds4

About 2-chloro-N-[(4-hydroxypyrrolidin-3-yl)methyl]-4-(tetrazol-1-yl)benzamide

2-chloro-N-[(4-hydroxypyrrolidin-3-yl)methyl]-4-(tetrazol-1-yl)benzamide (PubChem CID 120945715) has the molecular formula C13H15ClN6O2 and a molecular weight of 322.76 g/mol. Its IUPAC name is 2-chloro-N-[(4-hydroxypyrrolidin-3-yl)methyl]-4-(tetrazol-1-yl)benzamide.

Molecular Properties

Compound Name2-chloro-N-[(4-hydroxypyrrolidin-3-yl)methyl]-4-(tetrazol-1-yl)benzamide
PubChem CID120945715
Molecular FormulaC13H15ClN6O2
Molecular Weight322.76 g/mol
Exact Mass322.09
IUPAC Name2-chloro-N-[(4-hydroxypyrrolidin-3-yl)methyl]-4-(tetrazol-1-yl)benzamide
SMILESO=C(NCC1CNCC1O)c1ccc(-n2cnnn2)cc1Cl
InChIInChI=1S/C13H15ClN6O2/c14-11-3-9(20-7-17-18-19-20)1-2-10(11)13(22)16-5-8-4-15-6-12(8)21/h1-3,7-8,12,15,21H,4-6H2,(H,16,22)
InChIKeyJSGNJYGOIFYGDI-UHFFFAOYSA-N
XLogP-0.37
TPSA104.96 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.76
LogP ≤ 5-0.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

2-chloro-N-[(4-hydroxypyrrolidin-3-yl)methyl]-4-iodobenzamide;hydrochloride
CID 120944879
N-[[(1S,2S,4R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-2-chloro-5-(tetrazol-1-yl)benzamide
CID 99794196
2-chloro-N-[(3-cyclopropyl-1H-1,2,4-triazol-5-yl)methyl]-4-(tetrazol-1-yl)benzamide
CID 136546547
2-chloro-N-[[2-(hydroxymethyl)phenyl]methyl]-4-(tetrazol-1-yl)benzamide
CID 111102341
2-chloro-N-[(2-methylpyrazol-3-yl)methyl]-4-(tetrazol-1-yl)benzamide
CID 154798269
3-[[2-chloro-4-(tetrazol-1-yl)benzoyl]amino]-N-ethylpyrrolidine-1-carboxamide
CID 154803232
2-chloro-N-[(4-hydroxypyrrolidin-3-yl)methyl]-5-iodobenzamide;hydrochloride
CID 120946362
4-chloro-2-fluoro-N-[(4-hydroxypyrrolidin-3-yl)methyl]benzamide;hydrochloride
CID 120945409
2-chloro-N-(2-methylpropyl)-5-(tetrazol-1-yl)benzamide
CID 42582450
[2-chloro-4-(tetrazol-1-yl)phenyl]-[(3R,5R)-3,5-dimethylpiperazin-1-yl]methanone
CID 124589606
2-chloro-N-[(4-fluorophenyl)methyl]-5-(tetrazol-1-yl)benzamide
CID 29139776
N-[[(1S,2S,4R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-2-bromo-5-(tetrazol-1-yl)benzamide
CID 99794203

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(4-hydroxypyrrolidin-3-yl)methyl]-4-(tetrazol-1-yl)benzamide?
The IUPAC name of 2-chloro-N-[(4-hydroxypyrrolidin-3-yl)methyl]-4-(tetrazol-1-yl)benzamide (CID 120945715) is 2-chloro-N-[(4-hydroxypyrrolidin-3-yl)methyl]-4-(tetrazol-1-yl)benzamide.
What is the SMILES notation for 2-chloro-N-[(4-hydroxypyrrolidin-3-yl)methyl]-4-(tetrazol-1-yl)benzamide?
The canonical SMILES for 2-chloro-N-[(4-hydroxypyrrolidin-3-yl)methyl]-4-(tetrazol-1-yl)benzamide is O=C(NCC1CNCC1O)c1ccc(-n2cnnn2)cc1Cl.
What is the InChIKey of 2-chloro-N-[(4-hydroxypyrrolidin-3-yl)methyl]-4-(tetrazol-1-yl)benzamide?
The InChIKey is JSGNJYGOIFYGDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN6O2/c14-11-3-9(20-7-17-18-19-20)1-2-10(11)13(22)16-5-8-4-15-6-12(8)21/h1-3,7-8,12,15,21H,4-6H2,(H,16,22).
What are the key properties of 2-chloro-N-[(4-hydroxypyrrolidin-3-yl)methyl]-4-(tetrazol-1-yl)benzamide?
2-chloro-N-[(4-hydroxypyrrolidin-3-yl)methyl]-4-(tetrazol-1-yl)benzamide has a molecular weight of 322.76 g/mol, XLogP of -0.37, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(4-hydroxypyrrolidin-3-yl)methyl]-4-(tetrazol-1-yl)benzamide is sourced from PubChem (CID 120945715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).