N-[2-(ethylamino)ethyl]-2-(tetrazol-1-yl)benzamide;hydrochloride

C12H17ClN6O — CID 119506175

IUPACN-[2-(ethylamino)ethyl]-2-(tetrazol-1-yl)benzamide;hydrochloride
SMILESCCNCCNC(=O)c1ccccc1-n1cnnn1.Cl
InChIInChI=1S/C12H16N6O.ClH/c1-2-13-7-8-14-12(19)10-5-3-4-6-11(10)18-9-15-16-17-18;/h3-6,9,13H,2,7-8H2,1H3,(H,14,19);1H
InChIKeyUDIXLHIAXBFYCD-UHFFFAOYSA-N
MW296.76 g/mol
LogP0.42
Rot. Bonds6

About N-[2-(ethylamino)ethyl]-2-(tetrazol-1-yl)benzamide;hydrochloride

N-[2-(ethylamino)ethyl]-2-(tetrazol-1-yl)benzamide;hydrochloride (PubChem CID 119506175) has the molecular formula C12H17ClN6O and a molecular weight of 296.76 g/mol. Its IUPAC name is N-[2-(ethylamino)ethyl]-2-(tetrazol-1-yl)benzamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(ethylamino)ethyl]-2-(tetrazol-1-yl)benzamide;hydrochloride
PubChem CID119506175
Molecular FormulaC12H17ClN6O
Molecular Weight296.76 g/mol
Exact Mass296.12
IUPAC NameN-[2-(ethylamino)ethyl]-2-(tetrazol-1-yl)benzamide;hydrochloride
SMILESCCNCCNC(=O)c1ccccc1-n1cnnn1.Cl
InChIInChI=1S/C12H16N6O.ClH/c1-2-13-7-8-14-12(19)10-5-3-4-6-11(10)18-9-15-16-17-18;/h3-6,9,13H,2,7-8H2,1H3,(H,14,19);1H
InChIKeyUDIXLHIAXBFYCD-UHFFFAOYSA-N
XLogP0.42
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.76
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(ethylamino)ethyl]-4-(tetrazol-1-yl)benzamide
CID 55101010
N-[2-(2-methoxyphenyl)ethyl]-2-(tetrazol-1-yl)benzamide
CID 51151935
N-[2-(3,5-difluorophenyl)ethyl]-2-(tetrazol-1-yl)benzamide
CID 51101650
N-[(1-hydroxycyclobutyl)methyl]-2-(tetrazol-1-yl)benzamide
CID 111445767
N-chloro-2-(tetrazol-1-yl)benzamide
CID 91422333
2-(tetrazol-1-yl)-N-[2-[4-(trifluoromethyl)phenyl]ethyl]benzamide
CID 17412980
N-[[2-(hydroxymethyl)phenyl]methyl]-2-(tetrazol-1-yl)benzamide
CID 110931289
N-(pyridin-4-ylmethyl)-2-(tetrazol-1-yl)benzamide
CID 28934785
N-[3-(1-phenylethoxy)propyl]-2-(tetrazol-1-yl)benzamide
CID 24678149
3-(ethylamino)-N-[2-(tetrazol-1-yl)phenyl]propanamide
CID 55121620
N-(5-methylhexan-2-yl)-2-(tetrazol-1-yl)benzamide
CID 78789374
2-acetyl-N-[2-(ethylamino)ethyl]benzamide;hydrochloride
CID 119504668

Frequently Asked Questions

What is the IUPAC name of N-[2-(ethylamino)ethyl]-2-(tetrazol-1-yl)benzamide;hydrochloride?
The IUPAC name of N-[2-(ethylamino)ethyl]-2-(tetrazol-1-yl)benzamide;hydrochloride (CID 119506175) is N-[2-(ethylamino)ethyl]-2-(tetrazol-1-yl)benzamide;hydrochloride.
What is the SMILES notation for N-[2-(ethylamino)ethyl]-2-(tetrazol-1-yl)benzamide;hydrochloride?
The canonical SMILES for N-[2-(ethylamino)ethyl]-2-(tetrazol-1-yl)benzamide;hydrochloride is CCNCCNC(=O)c1ccccc1-n1cnnn1.Cl.
What is the InChIKey of N-[2-(ethylamino)ethyl]-2-(tetrazol-1-yl)benzamide;hydrochloride?
The InChIKey is UDIXLHIAXBFYCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N6O.ClH/c1-2-13-7-8-14-12(19)10-5-3-4-6-11(10)18-9-15-16-17-18;/h3-6,9,13H,2,7-8H2,1H3,(H,14,19);1H.
What are the key properties of N-[2-(ethylamino)ethyl]-2-(tetrazol-1-yl)benzamide;hydrochloride?
N-[2-(ethylamino)ethyl]-2-(tetrazol-1-yl)benzamide;hydrochloride has a molecular weight of 296.76 g/mol, XLogP of 0.42, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(ethylamino)ethyl]-2-(tetrazol-1-yl)benzamide;hydrochloride is sourced from PubChem (CID 119506175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).