N-(3-chloro-4-fluorophenyl)-2-[5-[4-methyl-2-(tetrazol-1-yl)phenyl]tetrazol-2-yl]acetamide

C17H13ClFN9O — CID 1455340

IUPACN-(3-chloro-4-fluorophenyl)-2-[5-[4-methyl-2-(tetrazol-1-yl)phenyl]tetrazol-2-yl]acetamide
SMILESCc1ccc(-c2nnn(CC(=O)Nc3ccc(F)c(Cl)c3)n2)c(-n2cnnn2)c1
InChIInChI=1S/C17H13ClFN9O/c1-10-2-4-12(15(6-10)27-9-20-24-26-27)17-22-25-28(23-17)8-16(29)21-11-3-5-14(19)13(18)7-11/h2-7,9H,8H2,1H3,(H,21,29)
InChIKeyBLMHDWKJIYTSBN-UHFFFAOYSA-N
MW413.80 g/mol
LogP2.06
Rot. Bonds5

About N-(3-chloro-4-fluorophenyl)-2-[5-[4-methyl-2-(tetrazol-1-yl)phenyl]tetrazol-2-yl]acetamide

N-(3-chloro-4-fluorophenyl)-2-[5-[4-methyl-2-(tetrazol-1-yl)phenyl]tetrazol-2-yl]acetamide (PubChem CID 1455340) has the molecular formula C17H13ClFN9O and a molecular weight of 413.80 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-2-[5-[4-methyl-2-(tetrazol-1-yl)phenyl]tetrazol-2-yl]acetamide.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-2-[5-[4-methyl-2-(tetrazol-1-yl)phenyl]tetrazol-2-yl]acetamide
PubChem CID1455340
Molecular FormulaC17H13ClFN9O
Molecular Weight413.80 g/mol
Exact Mass413.09
IUPAC NameN-(3-chloro-4-fluorophenyl)-2-[5-[4-methyl-2-(tetrazol-1-yl)phenyl]tetrazol-2-yl]acetamide
SMILESCc1ccc(-c2nnn(CC(=O)Nc3ccc(F)c(Cl)c3)n2)c(-n2cnnn2)c1
InChIInChI=1S/C17H13ClFN9O/c1-10-2-4-12(15(6-10)27-9-20-24-26-27)17-22-25-28(23-17)8-16(29)21-11-3-5-14(19)13(18)7-11/h2-7,9H,8H2,1H3,(H,21,29)
InChIKeyBLMHDWKJIYTSBN-UHFFFAOYSA-N
XLogP2.06
TPSA116.30 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.80
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

N-(3,5-dimethoxyphenyl)-2-[5-[4-methyl-2-(tetrazol-1-yl)phenyl]tetrazol-2-yl]acetamide
CID 1455344
2-[5-[4-chloro-2-(tetrazol-1-yl)phenyl]tetrazol-2-yl]-N-(2-methylphenyl)acetamide
CID 1455314
N-(4-ethylphenyl)-2-[5-[2-(tetrazol-1-yl)phenyl]tetrazol-2-yl]acetamide
CID 3382696
[2-(3-chloro-4-fluoroanilino)-2-oxoethyl] 2-(tetrazol-1-yl)benzoate
CID 7399552
N-(4-chloro-2-fluorophenyl)-2-[5-(4-methylphenyl)tetrazol-2-yl]acetamide
CID 9355146
N-(3-chloro-4-fluorophenyl)-2-[3-(tetrazol-1-yl)phenoxy]acetamide
CID 2709063
N-(4-chlorophenyl)-2-[5-(4-chlorophenyl)tetrazol-2-yl]acetamide
CID 8850893
N-(3-chloro-4-methoxyphenyl)-2-[5-(2-methylphenyl)tetrazol-2-yl]acetamide
CID 7634847
N-(4-chloro-3-methylphenyl)-2-(5-phenyltetrazol-2-yl)acetamide
CID 17014887
N-(3-chloro-4-fluorophenyl)-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]acetamide
CID 23609017
N-(2-fluoro-4-methylphenyl)-2-[5-(2-methylphenyl)tetrazol-2-yl]acetamide
CID 7602043
N-(3-acetamidophenyl)-2-[5-(2-fluorophenyl)tetrazol-2-yl]acetamide
CID 1168126

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-2-[5-[4-methyl-2-(tetrazol-1-yl)phenyl]tetrazol-2-yl]acetamide?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-2-[5-[4-methyl-2-(tetrazol-1-yl)phenyl]tetrazol-2-yl]acetamide (CID 1455340) is N-(3-chloro-4-fluorophenyl)-2-[5-[4-methyl-2-(tetrazol-1-yl)phenyl]tetrazol-2-yl]acetamide.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-2-[5-[4-methyl-2-(tetrazol-1-yl)phenyl]tetrazol-2-yl]acetamide?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-2-[5-[4-methyl-2-(tetrazol-1-yl)phenyl]tetrazol-2-yl]acetamide is Cc1ccc(-c2nnn(CC(=O)Nc3ccc(F)c(Cl)c3)n2)c(-n2cnnn2)c1.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-2-[5-[4-methyl-2-(tetrazol-1-yl)phenyl]tetrazol-2-yl]acetamide?
The InChIKey is BLMHDWKJIYTSBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClFN9O/c1-10-2-4-12(15(6-10)27-9-20-24-26-27)17-22-25-28(23-17)8-16(29)21-11-3-5-14(19)13(18)7-11/h2-7,9H,8H2,1H3,(H,21,29).
What are the key properties of N-(3-chloro-4-fluorophenyl)-2-[5-[4-methyl-2-(tetrazol-1-yl)phenyl]tetrazol-2-yl]acetamide?
N-(3-chloro-4-fluorophenyl)-2-[5-[4-methyl-2-(tetrazol-1-yl)phenyl]tetrazol-2-yl]acetamide has a molecular weight of 413.80 g/mol, XLogP of 2.06, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-2-[5-[4-methyl-2-(tetrazol-1-yl)phenyl]tetrazol-2-yl]acetamide is sourced from PubChem (CID 1455340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).