N-[2-chloro-4-(2-phenacyltetrazol-5-yl)phenyl]acetamide

C17H14ClN5O2 — CID 649986

IUPACN-[2-chloro-4-(2-phenacyltetrazol-5-yl)phenyl]acetamide
SMILESCC(=O)Nc1ccc(-c2nnn(CC(=O)c3ccccc3)n2)cc1Cl
InChIInChI=1S/C17H14ClN5O2/c1-11(24)19-15-8-7-13(9-14(15)18)17-20-22-23(21-17)10-16(25)12-5-3-2-4-6-12/h2-9H,10H2,1H3,(H,19,24)
InChIKeySFUAWSOFPMVCMA-UHFFFAOYSA-N
MW355.79 g/mol
LogP2.83
Rot. Bonds5

About N-[2-chloro-4-(2-phenacyltetrazol-5-yl)phenyl]acetamide

N-[2-chloro-4-(2-phenacyltetrazol-5-yl)phenyl]acetamide (PubChem CID 649986) has the molecular formula C17H14ClN5O2 and a molecular weight of 355.79 g/mol. Its IUPAC name is N-[2-chloro-4-(2-phenacyltetrazol-5-yl)phenyl]acetamide.

Molecular Properties

Compound NameN-[2-chloro-4-(2-phenacyltetrazol-5-yl)phenyl]acetamide
PubChem CID649986
Molecular FormulaC17H14ClN5O2
Molecular Weight355.79 g/mol
Exact Mass355.08
IUPAC NameN-[2-chloro-4-(2-phenacyltetrazol-5-yl)phenyl]acetamide
SMILESCC(=O)Nc1ccc(-c2nnn(CC(=O)c3ccccc3)n2)cc1Cl
InChIInChI=1S/C17H14ClN5O2/c1-11(24)19-15-8-7-13(9-14(15)18)17-20-22-23(21-17)10-16(25)12-5-3-2-4-6-12/h2-9H,10H2,1H3,(H,19,24)
InChIKeySFUAWSOFPMVCMA-UHFFFAOYSA-N
XLogP2.83
TPSA89.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.79
LogP ≤ 52.83
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-phenacyltetrazol-5-yl)phenyl]acetamide?
The IUPAC name of N-[2-chloro-4-(2-phenacyltetrazol-5-yl)phenyl]acetamide (CID 649986) is N-[2-chloro-4-(2-phenacyltetrazol-5-yl)phenyl]acetamide.
What is the SMILES notation for N-[2-chloro-4-(2-phenacyltetrazol-5-yl)phenyl]acetamide?
The canonical SMILES for N-[2-chloro-4-(2-phenacyltetrazol-5-yl)phenyl]acetamide is CC(=O)Nc1ccc(-c2nnn(CC(=O)c3ccccc3)n2)cc1Cl.
What is the InChIKey of N-[2-chloro-4-(2-phenacyltetrazol-5-yl)phenyl]acetamide?
The InChIKey is SFUAWSOFPMVCMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN5O2/c1-11(24)19-15-8-7-13(9-14(15)18)17-20-22-23(21-17)10-16(25)12-5-3-2-4-6-12/h2-9H,10H2,1H3,(H,19,24).
What are the key properties of N-[2-chloro-4-(2-phenacyltetrazol-5-yl)phenyl]acetamide?
N-[2-chloro-4-(2-phenacyltetrazol-5-yl)phenyl]acetamide has a molecular weight of 355.79 g/mol, XLogP of 2.83, 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-phenacyltetrazol-5-yl)phenyl]acetamide is sourced from PubChem (CID 649986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).