2-[2-(3-fluorophenyl)piperazin-1-yl]-N-[2-fluoro-5-(tetrazol-1-yl)phenyl]acetamide

C19H19F2N7O — CID 120757045

IUPAC2-[2-(3-fluorophenyl)piperazin-1-yl]-N-[2-fluoro-5-(tetrazol-1-yl)phenyl]acetamide
SMILESO=C(CN1CCNCC1c1cccc(F)c1)Nc1cc(-n2cnnn2)ccc1F
InChIInChI=1S/C19H19F2N7O/c20-14-3-1-2-13(8-14)18-10-22-6-7-27(18)11-19(29)24-17-9-15(4-5-16(17)21)28-12-23-25-26-28/h1-5,8-9,12,18,22H,6-7,10-11H2,(H,24,29)
InChIKeyMHGYZFLSKKQIHQ-UHFFFAOYSA-N
MW399.41 g/mol
LogP1.53
Rot. Bonds5

About 2-[2-(3-fluorophenyl)piperazin-1-yl]-N-[2-fluoro-5-(tetrazol-1-yl)phenyl]acetamide

2-[2-(3-fluorophenyl)piperazin-1-yl]-N-[2-fluoro-5-(tetrazol-1-yl)phenyl]acetamide (PubChem CID 120757045) has the molecular formula C19H19F2N7O and a molecular weight of 399.41 g/mol. Its IUPAC name is 2-[2-(3-fluorophenyl)piperazin-1-yl]-N-[2-fluoro-5-(tetrazol-1-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-[2-(3-fluorophenyl)piperazin-1-yl]-N-[2-fluoro-5-(tetrazol-1-yl)phenyl]acetamide
PubChem CID120757045
Molecular FormulaC19H19F2N7O
Molecular Weight399.41 g/mol
Exact Mass399.16
IUPAC Name2-[2-(3-fluorophenyl)piperazin-1-yl]-N-[2-fluoro-5-(tetrazol-1-yl)phenyl]acetamide
SMILESO=C(CN1CCNCC1c1cccc(F)c1)Nc1cc(-n2cnnn2)ccc1F
InChIInChI=1S/C19H19F2N7O/c20-14-3-1-2-13(8-14)18-10-22-6-7-27(18)11-19(29)24-17-9-15(4-5-16(17)21)28-12-23-25-26-28/h1-5,8-9,12,18,22H,6-7,10-11H2,(H,24,29)
InChIKeyMHGYZFLSKKQIHQ-UHFFFAOYSA-N
XLogP1.53
TPSA87.97 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.41
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide;hydrochloride
CID 120755849
N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide
CID 120869918
N-(4-chloro-2-methylphenyl)-2-[2-(3-fluorophenyl)piperazin-1-yl]acetamide;hydrochloride
CID 120757048
N-(4-fluorophenyl)-2-[2-(3-fluorophenyl)piperazin-1-yl]acetamide;hydrochloride
CID 120756678
N-(2-bromophenyl)-2-[2-(3-fluorophenyl)piperazin-1-yl]acetamide;hydrochloride
CID 120756344
N-(2,5-dimethylphenyl)-2-[2-(3-fluorophenyl)piperazin-1-yl]acetamide;hydrochloride
CID 120756812
2-[2-(3-chlorophenyl)piperazin-1-yl]-N-(2,4-difluorophenyl)acetamide;hydrochloride
CID 120771117
2-[2-(3-fluorophenyl)piperazin-1-yl]-N-(8λ4-thia-7,9-diazabicyclo[4.3.0]nona-1(6),2,4,7,8-pentaen-2-yl)acetamide
CID 120756569
2-[2-(3-fluorophenyl)piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide;hydrochloride
CID 120756456
N-(2,6-dichlorophenyl)-2-[2-(3-fluorophenyl)piperazin-1-yl]acetamide;hydrochloride
CID 120756950
N-cyclopropyl-2-[2-(3-fluorophenyl)piperazin-1-yl]acetamide
CID 120756405
2-[2-(3-fluorophenyl)piperazin-1-yl]-N-[2-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 120757093

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-fluorophenyl)piperazin-1-yl]-N-[2-fluoro-5-(tetrazol-1-yl)phenyl]acetamide?
The IUPAC name of 2-[2-(3-fluorophenyl)piperazin-1-yl]-N-[2-fluoro-5-(tetrazol-1-yl)phenyl]acetamide (CID 120757045) is 2-[2-(3-fluorophenyl)piperazin-1-yl]-N-[2-fluoro-5-(tetrazol-1-yl)phenyl]acetamide.
What is the SMILES notation for 2-[2-(3-fluorophenyl)piperazin-1-yl]-N-[2-fluoro-5-(tetrazol-1-yl)phenyl]acetamide?
The canonical SMILES for 2-[2-(3-fluorophenyl)piperazin-1-yl]-N-[2-fluoro-5-(tetrazol-1-yl)phenyl]acetamide is O=C(CN1CCNCC1c1cccc(F)c1)Nc1cc(-n2cnnn2)ccc1F.
What is the InChIKey of 2-[2-(3-fluorophenyl)piperazin-1-yl]-N-[2-fluoro-5-(tetrazol-1-yl)phenyl]acetamide?
The InChIKey is MHGYZFLSKKQIHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F2N7O/c20-14-3-1-2-13(8-14)18-10-22-6-7-27(18)11-19(29)24-17-9-15(4-5-16(17)21)28-12-23-25-26-28/h1-5,8-9,12,18,22H,6-7,10-11H2,(H,24,29).
What are the key properties of 2-[2-(3-fluorophenyl)piperazin-1-yl]-N-[2-fluoro-5-(tetrazol-1-yl)phenyl]acetamide?
2-[2-(3-fluorophenyl)piperazin-1-yl]-N-[2-fluoro-5-(tetrazol-1-yl)phenyl]acetamide has a molecular weight of 399.41 g/mol, XLogP of 1.53, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-fluorophenyl)piperazin-1-yl]-N-[2-fluoro-5-(tetrazol-1-yl)phenyl]acetamide is sourced from PubChem (CID 120757045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).