3-(4-fluorophenyl)-N-[2-(methylamino)ethyl]-2-(5-methyltetrazol-1-yl)propanamide;hydrochloride

C14H20ClFN6O — CID 119500200

IUPAC3-(4-fluorophenyl)-N-[2-(methylamino)ethyl]-2-(5-methyltetrazol-1-yl)propanamide;hydrochloride
SMILESCNCCNC(=O)C(Cc1ccc(F)cc1)n1nnnc1C.Cl
InChIInChI=1S/C14H19FN6O.ClH/c1-10-18-19-20-21(10)13(14(22)17-8-7-16-2)9-11-3-5-12(15)6-4-11;/h3-6,13,16H,7-9H2,1-2H3,(H,17,22);1H
InChIKeyXJJBMVUWLNCZFB-UHFFFAOYSA-N
MW342.81 g/mol
LogP0.66
Rot. Bonds7

About 3-(4-fluorophenyl)-N-[2-(methylamino)ethyl]-2-(5-methyltetrazol-1-yl)propanamide;hydrochloride

3-(4-fluorophenyl)-N-[2-(methylamino)ethyl]-2-(5-methyltetrazol-1-yl)propanamide;hydrochloride (PubChem CID 119500200) has the molecular formula C14H20ClFN6O and a molecular weight of 342.81 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-N-[2-(methylamino)ethyl]-2-(5-methyltetrazol-1-yl)propanamide;hydrochloride.

Molecular Properties

Compound Name3-(4-fluorophenyl)-N-[2-(methylamino)ethyl]-2-(5-methyltetrazol-1-yl)propanamide;hydrochloride
PubChem CID119500200
Molecular FormulaC14H20ClFN6O
Molecular Weight342.81 g/mol
Exact Mass342.14
IUPAC Name3-(4-fluorophenyl)-N-[2-(methylamino)ethyl]-2-(5-methyltetrazol-1-yl)propanamide;hydrochloride
SMILESCNCCNC(=O)C(Cc1ccc(F)cc1)n1nnnc1C.Cl
InChIInChI=1S/C14H19FN6O.ClH/c1-10-18-19-20-21(10)13(14(22)17-8-7-16-2)9-11-3-5-12(15)6-4-11;/h3-6,13,16H,7-9H2,1-2H3,(H,17,22);1H
InChIKeyXJJBMVUWLNCZFB-UHFFFAOYSA-N
XLogP0.66
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.81
LogP ≤ 50.66
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-(cycloheptylamino)ethyl]-3-(4-fluorophenyl)-2-(5-methyltetrazol-1-yl)propanamide
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3-(4-fluorophenyl)-2-(5-methyltetrazol-1-yl)-N-piperidin-4-ylpropanamide;hydrochloride
CID 119386064
3-(4-fluorophenyl)-2-(5-methyltetrazol-1-yl)-N-(2-pyridin-3-ylethyl)propanamide
CID 86994053
N-[2-(5-bromothiophen-2-yl)ethyl]-3-(4-fluorophenyl)-2-(5-methyltetrazol-1-yl)propanamide
CID 78880480
3-(4-fluorophenyl)-2-(5-methyltetrazol-1-yl)-N-(3-pyrazol-1-ylpropyl)propanamide
CID 47039371
3-(4-fluorophenyl)-N-[(2-hydroxycyclopentyl)methyl]-2-(5-methyltetrazol-1-yl)propanamide
CID 111464206
4-[[[3-(4-fluorophenyl)-2-(5-methyltetrazol-1-yl)propanoyl]amino]methyl]oxane-4-carboxylic acid
CID 120542576
3-(4-fluorophenyl)-N-(3-indol-1-ylpropyl)-2-(5-methyltetrazol-1-yl)propanamide
CID 55739350
2-[[[3-(4-fluorophenyl)-2-(5-methyltetrazol-1-yl)propanoyl]amino]methyl]-1,3-thiazole-4-carboxylic acid
CID 119244757
4-[2-[[3-(3-fluorophenyl)-2-(5-methyltetrazol-1-yl)propanoyl]amino]ethyl]benzoic acid
CID 119168903
3-(4-fluorophenyl)-2-(5-methyltetrazol-1-yl)-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]propanamide
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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-N-[2-(methylamino)ethyl]-2-(5-methyltetrazol-1-yl)propanamide;hydrochloride?
The IUPAC name of 3-(4-fluorophenyl)-N-[2-(methylamino)ethyl]-2-(5-methyltetrazol-1-yl)propanamide;hydrochloride (CID 119500200) is 3-(4-fluorophenyl)-N-[2-(methylamino)ethyl]-2-(5-methyltetrazol-1-yl)propanamide;hydrochloride.
What is the SMILES notation for 3-(4-fluorophenyl)-N-[2-(methylamino)ethyl]-2-(5-methyltetrazol-1-yl)propanamide;hydrochloride?
The canonical SMILES for 3-(4-fluorophenyl)-N-[2-(methylamino)ethyl]-2-(5-methyltetrazol-1-yl)propanamide;hydrochloride is CNCCNC(=O)C(Cc1ccc(F)cc1)n1nnnc1C.Cl.
What is the InChIKey of 3-(4-fluorophenyl)-N-[2-(methylamino)ethyl]-2-(5-methyltetrazol-1-yl)propanamide;hydrochloride?
The InChIKey is XJJBMVUWLNCZFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN6O.ClH/c1-10-18-19-20-21(10)13(14(22)17-8-7-16-2)9-11-3-5-12(15)6-4-11;/h3-6,13,16H,7-9H2,1-2H3,(H,17,22);1H.
What are the key properties of 3-(4-fluorophenyl)-N-[2-(methylamino)ethyl]-2-(5-methyltetrazol-1-yl)propanamide;hydrochloride?
3-(4-fluorophenyl)-N-[2-(methylamino)ethyl]-2-(5-methyltetrazol-1-yl)propanamide;hydrochloride has a molecular weight of 342.81 g/mol, XLogP of 0.66, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-N-[2-(methylamino)ethyl]-2-(5-methyltetrazol-1-yl)propanamide;hydrochloride is sourced from PubChem (CID 119500200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).