N-[2-chloro-4-[2-[2-(4-fluorophenyl)-2-oxoethyl]tetrazol-5-yl]phenyl]acetamide

C17H13ClFN5O2 — CID 1444200

IUPACN-[2-chloro-4-[2-[2-(4-fluorophenyl)-2-oxoethyl]tetrazol-5-yl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(-c2nnn(CC(=O)c3ccc(F)cc3)n2)cc1Cl
InChIInChI=1S/C17H13ClFN5O2/c1-10(25)20-15-7-4-12(8-14(15)18)17-21-23-24(22-17)9-16(26)11-2-5-13(19)6-3-11/h2-8H,9H2,1H3,(H,20,25)
InChIKeyHJKSABXDFIRFHE-UHFFFAOYSA-N
MW373.78 g/mol
LogP2.97
Rot. Bonds5

About N-[2-chloro-4-[2-[2-(4-fluorophenyl)-2-oxoethyl]tetrazol-5-yl]phenyl]acetamide

N-[2-chloro-4-[2-[2-(4-fluorophenyl)-2-oxoethyl]tetrazol-5-yl]phenyl]acetamide (PubChem CID 1444200) has the molecular formula C17H13ClFN5O2 and a molecular weight of 373.78 g/mol. Its IUPAC name is N-[2-chloro-4-[2-[2-(4-fluorophenyl)-2-oxoethyl]tetrazol-5-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[2-chloro-4-[2-[2-(4-fluorophenyl)-2-oxoethyl]tetrazol-5-yl]phenyl]acetamide
PubChem CID1444200
Molecular FormulaC17H13ClFN5O2
Molecular Weight373.78 g/mol
Exact Mass373.07
IUPAC NameN-[2-chloro-4-[2-[2-(4-fluorophenyl)-2-oxoethyl]tetrazol-5-yl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(-c2nnn(CC(=O)c3ccc(F)cc3)n2)cc1Cl
InChIInChI=1S/C17H13ClFN5O2/c1-10(25)20-15-7-4-12(8-14(15)18)17-21-23-24(22-17)9-16(26)11-2-5-13(19)6-3-11/h2-8H,9H2,1H3,(H,20,25)
InChIKeyHJKSABXDFIRFHE-UHFFFAOYSA-N
XLogP2.97
TPSA89.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.78
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-4-[2-[2-(4-fluorophenyl)-2-oxoethyl]tetrazol-5-yl]phenyl]acetamide?
The IUPAC name of N-[2-chloro-4-[2-[2-(4-fluorophenyl)-2-oxoethyl]tetrazol-5-yl]phenyl]acetamide (CID 1444200) is N-[2-chloro-4-[2-[2-(4-fluorophenyl)-2-oxoethyl]tetrazol-5-yl]phenyl]acetamide.
What is the SMILES notation for N-[2-chloro-4-[2-[2-(4-fluorophenyl)-2-oxoethyl]tetrazol-5-yl]phenyl]acetamide?
The canonical SMILES for N-[2-chloro-4-[2-[2-(4-fluorophenyl)-2-oxoethyl]tetrazol-5-yl]phenyl]acetamide is CC(=O)Nc1ccc(-c2nnn(CC(=O)c3ccc(F)cc3)n2)cc1Cl.
What is the InChIKey of N-[2-chloro-4-[2-[2-(4-fluorophenyl)-2-oxoethyl]tetrazol-5-yl]phenyl]acetamide?
The InChIKey is HJKSABXDFIRFHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClFN5O2/c1-10(25)20-15-7-4-12(8-14(15)18)17-21-23-24(22-17)9-16(26)11-2-5-13(19)6-3-11/h2-8H,9H2,1H3,(H,20,25).
What are the key properties of N-[2-chloro-4-[2-[2-(4-fluorophenyl)-2-oxoethyl]tetrazol-5-yl]phenyl]acetamide?
N-[2-chloro-4-[2-[2-(4-fluorophenyl)-2-oxoethyl]tetrazol-5-yl]phenyl]acetamide has a molecular weight of 373.78 g/mol, XLogP of 2.97, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-4-[2-[2-(4-fluorophenyl)-2-oxoethyl]tetrazol-5-yl]phenyl]acetamide is sourced from PubChem (CID 1444200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).