N-(2-fluorophenyl)-2-[3-(5-methyltetrazol-1-yl)anilino]acetamide

C16H15FN6O — CID 36913354

IUPACN-(2-fluorophenyl)-2-[3-(5-methyltetrazol-1-yl)anilino]acetamide
SMILESCc1nnnn1-c1cccc(NCC(=O)Nc2ccccc2F)c1
InChIInChI=1S/C16H15FN6O/c1-11-20-21-22-23(11)13-6-4-5-12(9-13)18-10-16(24)19-15-8-3-2-7-14(15)17/h2-9,18H,10H2,1H3,(H,19,24)
InChIKeyUCMZZLPNKFXMJW-UHFFFAOYSA-N
MW326.34 g/mol
LogP2.16
Rot. Bonds5

About N-(2-fluorophenyl)-2-[3-(5-methyltetrazol-1-yl)anilino]acetamide

N-(2-fluorophenyl)-2-[3-(5-methyltetrazol-1-yl)anilino]acetamide (PubChem CID 36913354) has the molecular formula C16H15FN6O and a molecular weight of 326.34 g/mol. Its IUPAC name is N-(2-fluorophenyl)-2-[3-(5-methyltetrazol-1-yl)anilino]acetamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-2-[3-(5-methyltetrazol-1-yl)anilino]acetamide
PubChem CID36913354
Molecular FormulaC16H15FN6O
Molecular Weight326.34 g/mol
Exact Mass326.13
IUPAC NameN-(2-fluorophenyl)-2-[3-(5-methyltetrazol-1-yl)anilino]acetamide
SMILESCc1nnnn1-c1cccc(NCC(=O)Nc2ccccc2F)c1
InChIInChI=1S/C16H15FN6O/c1-11-20-21-22-23(11)13-6-4-5-12(9-13)18-10-16(24)19-15-8-3-2-7-14(15)17/h2-9,18H,10H2,1H3,(H,19,24)
InChIKeyUCMZZLPNKFXMJW-UHFFFAOYSA-N
XLogP2.16
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.34
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-2-[3-(5-methyltetrazol-1-yl)anilino]acetamide?
The IUPAC name of N-(2-fluorophenyl)-2-[3-(5-methyltetrazol-1-yl)anilino]acetamide (CID 36913354) is N-(2-fluorophenyl)-2-[3-(5-methyltetrazol-1-yl)anilino]acetamide.
What is the SMILES notation for N-(2-fluorophenyl)-2-[3-(5-methyltetrazol-1-yl)anilino]acetamide?
The canonical SMILES for N-(2-fluorophenyl)-2-[3-(5-methyltetrazol-1-yl)anilino]acetamide is Cc1nnnn1-c1cccc(NCC(=O)Nc2ccccc2F)c1.
What is the InChIKey of N-(2-fluorophenyl)-2-[3-(5-methyltetrazol-1-yl)anilino]acetamide?
The InChIKey is UCMZZLPNKFXMJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN6O/c1-11-20-21-22-23(11)13-6-4-5-12(9-13)18-10-16(24)19-15-8-3-2-7-14(15)17/h2-9,18H,10H2,1H3,(H,19,24).
What are the key properties of N-(2-fluorophenyl)-2-[3-(5-methyltetrazol-1-yl)anilino]acetamide?
N-(2-fluorophenyl)-2-[3-(5-methyltetrazol-1-yl)anilino]acetamide has a molecular weight of 326.34 g/mol, XLogP of 2.16, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-2-[3-(5-methyltetrazol-1-yl)anilino]acetamide is sourced from PubChem (CID 36913354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).