N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[3-(2H-tetrazol-5-yl)phenoxy]acetamide

C16H11ClF3N5O2 — CID 67161060

IUPACN-[4-chloro-3-(trifluoromethyl)phenyl]-2-[3-(2H-tetrazol-5-yl)phenoxy]acetamide
SMILESO=C(COc1cccc(-c2nn[nH]n2)c1)Nc1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C16H11ClF3N5O2/c17-13-5-4-10(7-12(13)16(18,19)20)21-14(26)8-27-11-3-1-2-9(6-11)15-22-24-25-23-15/h1-7H,8H2,(H,21,26)(H,22,23,24,25)
InChIKeyOBSMARYKLKAEED-UHFFFAOYSA-N
MW397.74 g/mol
LogP3.56
Rot. Bonds5

About N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[3-(2H-tetrazol-5-yl)phenoxy]acetamide

N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[3-(2H-tetrazol-5-yl)phenoxy]acetamide (PubChem CID 67161060) has the molecular formula C16H11ClF3N5O2 and a molecular weight of 397.74 g/mol. Its IUPAC name is N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[3-(2H-tetrazol-5-yl)phenoxy]acetamide.

Molecular Properties

Compound NameN-[4-chloro-3-(trifluoromethyl)phenyl]-2-[3-(2H-tetrazol-5-yl)phenoxy]acetamide
PubChem CID67161060
Molecular FormulaC16H11ClF3N5O2
Molecular Weight397.74 g/mol
Exact Mass397.06
IUPAC NameN-[4-chloro-3-(trifluoromethyl)phenyl]-2-[3-(2H-tetrazol-5-yl)phenoxy]acetamide
SMILESO=C(COc1cccc(-c2nn[nH]n2)c1)Nc1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C16H11ClF3N5O2/c17-13-5-4-10(7-12(13)16(18,19)20)21-14(26)8-27-11-3-1-2-9(6-11)15-22-24-25-23-15/h1-7H,8H2,(H,21,26)(H,22,23,24,25)
InChIKeyOBSMARYKLKAEED-UHFFFAOYSA-N
XLogP3.56
TPSA92.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.74
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[3-(furan-3-yl)phenoxy]acetamide
CID 11188643
1-[3-[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethoxy]phenyl]triazole-4-carboxylic acid
CID 90113665
2-(3-methylphenoxy)-N-[4-(2H-tetrazol-5-yl)phenyl]acetamide
CID 110720239
2-(2-chlorophenoxy)-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide
CID 19171328
4-[2-oxo-2-[3-(trifluoromethyl)anilino]ethoxy]-N-[4-(2H-tetrazol-5-yl)phenyl]benzamide
CID 166195280
tert-butyl 5-[3-[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethoxy]phenyl]cyclohepta-2,4-diene-1-carboxylate
CID 143012713
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(2,3-dihydro-1,4-benzodioxin-6-yloxy)acetamide
CID 24534208
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(3-methyl-4-propan-2-ylphenoxy)acetamide
CID 1185679
1-[4-chloro-2-(2H-tetrazol-5-yl)phenyl]-3-[4-chloro-3-(trifluoromethyl)phenyl]urea
CID 11177530
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 5182093
3-amino-N-[4-chloro-3-(trifluoromethyl)phenyl]-3-sulfanylidenepropanamide
CID 43132915
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]acetamide
CID 19171329

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[3-(2H-tetrazol-5-yl)phenoxy]acetamide?
The IUPAC name of N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[3-(2H-tetrazol-5-yl)phenoxy]acetamide (CID 67161060) is N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[3-(2H-tetrazol-5-yl)phenoxy]acetamide.
What is the SMILES notation for N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[3-(2H-tetrazol-5-yl)phenoxy]acetamide?
The canonical SMILES for N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[3-(2H-tetrazol-5-yl)phenoxy]acetamide is O=C(COc1cccc(-c2nn[nH]n2)c1)Nc1ccc(Cl)c(C(F)(F)F)c1.
What is the InChIKey of N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[3-(2H-tetrazol-5-yl)phenoxy]acetamide?
The InChIKey is OBSMARYKLKAEED-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClF3N5O2/c17-13-5-4-10(7-12(13)16(18,19)20)21-14(26)8-27-11-3-1-2-9(6-11)15-22-24-25-23-15/h1-7H,8H2,(H,21,26)(H,22,23,24,25).
What are the key properties of N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[3-(2H-tetrazol-5-yl)phenoxy]acetamide?
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[3-(2H-tetrazol-5-yl)phenoxy]acetamide has a molecular weight of 397.74 g/mol, XLogP of 3.56, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[3-(2H-tetrazol-5-yl)phenoxy]acetamide is sourced from PubChem (CID 67161060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).