5-chloro-N-(pyrrolidin-2-ylmethyl)-2-(tetrazol-1-yl)benzamide;hydrochloride

C13H16Cl2N6O — CID 119509965

IUPAC5-chloro-N-(pyrrolidin-2-ylmethyl)-2-(tetrazol-1-yl)benzamide;hydrochloride
SMILESCl.O=C(NCC1CCCN1)c1cc(Cl)ccc1-n1cnnn1
InChIInChI=1S/C13H15ClN6O.ClH/c14-9-3-4-12(20-8-17-18-19-20)11(6-9)13(21)16-7-10-2-1-5-15-10;/h3-4,6,8,10,15H,1-2,5,7H2,(H,16,21);1H
InChIKeySVSALXZFDARBIU-UHFFFAOYSA-N
MW343.22 g/mol
LogP1.22
Rot. Bonds4

About 5-chloro-N-(pyrrolidin-2-ylmethyl)-2-(tetrazol-1-yl)benzamide;hydrochloride

5-chloro-N-(pyrrolidin-2-ylmethyl)-2-(tetrazol-1-yl)benzamide;hydrochloride (PubChem CID 119509965) has the molecular formula C13H16Cl2N6O and a molecular weight of 343.22 g/mol. Its IUPAC name is 5-chloro-N-(pyrrolidin-2-ylmethyl)-2-(tetrazol-1-yl)benzamide;hydrochloride.

Molecular Properties

Compound Name5-chloro-N-(pyrrolidin-2-ylmethyl)-2-(tetrazol-1-yl)benzamide;hydrochloride
PubChem CID119509965
Molecular FormulaC13H16Cl2N6O
Molecular Weight343.22 g/mol
Exact Mass342.08
IUPAC Name5-chloro-N-(pyrrolidin-2-ylmethyl)-2-(tetrazol-1-yl)benzamide;hydrochloride
SMILESCl.O=C(NCC1CCCN1)c1cc(Cl)ccc1-n1cnnn1
InChIInChI=1S/C13H15ClN6O.ClH/c14-9-3-4-12(20-8-17-18-19-20)11(6-9)13(21)16-7-10-2-1-5-15-10;/h3-4,6,8,10,15H,1-2,5,7H2,(H,16,21);1H
InChIKeySVSALXZFDARBIU-UHFFFAOYSA-N
XLogP1.22
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.22
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-chloro-N-(2-methylpiperidin-3-yl)-2-(tetrazol-1-yl)benzamide
CID 120576545
N-(pyrrolidin-2-ylmethyl)-3-(tetrazol-1-yl)thiophene-2-carboxamide
CID 119513985
1-(2,4-dichlorophenyl)-N-(pyrrolidin-2-ylmethyl)pyrazole-4-carboxamide;hydrochloride
CID 119514691
5-chloro-2-methoxy-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride
CID 119513727
2-bromo-4-chloro-N-(pyrrolidin-2-ylmethyl)benzamide
CID 103806355
1-(4-chlorophenyl)-3-methyl-N-(pyrrolidin-2-ylmethyl)pyrazole-4-carboxamide;hydrochloride
CID 119512235
5-chloro-2-propan-2-yloxy-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride
CID 119510110
N-[2-(1H-benzimidazol-2-yl)ethyl]-5-chloro-2-(tetrazol-1-yl)benzamide
CID 39989934
5-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-(tetrazol-1-yl)benzamide
CID 39918772
5-chloro-N-[(4-methyl-2-pyrrolidin-1-ylphenyl)methyl]-2-(tetrazol-1-yl)benzamide
CID 167941397
(2S)-2-[[2-[[5-chloro-2-(tetrazol-1-yl)benzoyl]amino]acetyl]amino]-4-methylpentanoic acid
CID 120694899
1-(3-chlorophenyl)-5-methyl-N-(pyrrolidin-2-ylmethyl)pyrazole-4-carboxamide;hydrochloride
CID 119512035

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(pyrrolidin-2-ylmethyl)-2-(tetrazol-1-yl)benzamide;hydrochloride?
The IUPAC name of 5-chloro-N-(pyrrolidin-2-ylmethyl)-2-(tetrazol-1-yl)benzamide;hydrochloride (CID 119509965) is 5-chloro-N-(pyrrolidin-2-ylmethyl)-2-(tetrazol-1-yl)benzamide;hydrochloride.
What is the SMILES notation for 5-chloro-N-(pyrrolidin-2-ylmethyl)-2-(tetrazol-1-yl)benzamide;hydrochloride?
The canonical SMILES for 5-chloro-N-(pyrrolidin-2-ylmethyl)-2-(tetrazol-1-yl)benzamide;hydrochloride is Cl.O=C(NCC1CCCN1)c1cc(Cl)ccc1-n1cnnn1.
What is the InChIKey of 5-chloro-N-(pyrrolidin-2-ylmethyl)-2-(tetrazol-1-yl)benzamide;hydrochloride?
The InChIKey is SVSALXZFDARBIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN6O.ClH/c14-9-3-4-12(20-8-17-18-19-20)11(6-9)13(21)16-7-10-2-1-5-15-10;/h3-4,6,8,10,15H,1-2,5,7H2,(H,16,21);1H.
What are the key properties of 5-chloro-N-(pyrrolidin-2-ylmethyl)-2-(tetrazol-1-yl)benzamide;hydrochloride?
5-chloro-N-(pyrrolidin-2-ylmethyl)-2-(tetrazol-1-yl)benzamide;hydrochloride has a molecular weight of 343.22 g/mol, XLogP of 1.22, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(pyrrolidin-2-ylmethyl)-2-(tetrazol-1-yl)benzamide;hydrochloride is sourced from PubChem (CID 119509965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).