N-methyl-2-[5-[2-[4-(trifluoromethoxy)anilino]phenyl]tetrazol-2-yl]acetamide

C17H15F3N6O2 — CID 135372855

IUPACN-methyl-2-[5-[2-[4-(trifluoromethoxy)anilino]phenyl]tetrazol-2-yl]acetamide
SMILESCNC(=O)Cn1nnc(-c2ccccc2Nc2ccc(OC(F)(F)F)cc2)n1
InChIInChI=1S/C17H15F3N6O2/c1-21-15(27)10-26-24-16(23-25-26)13-4-2-3-5-14(13)22-11-6-8-12(9-7-11)28-17(18,19)20/h2-9,22H,10H2,1H3,(H,21,27)
InChIKeyZSLJQQSBUZAJIE-UHFFFAOYSA-N
MW392.34 g/mol
LogP2.73
Rot. Bonds6

About N-methyl-2-[5-[2-[4-(trifluoromethoxy)anilino]phenyl]tetrazol-2-yl]acetamide

N-methyl-2-[5-[2-[4-(trifluoromethoxy)anilino]phenyl]tetrazol-2-yl]acetamide (PubChem CID 135372855) has the molecular formula C17H15F3N6O2 and a molecular weight of 392.34 g/mol. Its IUPAC name is N-methyl-2-[5-[2-[4-(trifluoromethoxy)anilino]phenyl]tetrazol-2-yl]acetamide.

Molecular Properties

Compound NameN-methyl-2-[5-[2-[4-(trifluoromethoxy)anilino]phenyl]tetrazol-2-yl]acetamide
PubChem CID135372855
Molecular FormulaC17H15F3N6O2
Molecular Weight392.34 g/mol
Exact Mass392.12
IUPAC NameN-methyl-2-[5-[2-[4-(trifluoromethoxy)anilino]phenyl]tetrazol-2-yl]acetamide
SMILESCNC(=O)Cn1nnc(-c2ccccc2Nc2ccc(OC(F)(F)F)cc2)n1
InChIInChI=1S/C17H15F3N6O2/c1-21-15(27)10-26-24-16(23-25-26)13-4-2-3-5-14(13)22-11-6-8-12(9-7-11)28-17(18,19)20/h2-9,22H,10H2,1H3,(H,21,27)
InChIKeyZSLJQQSBUZAJIE-UHFFFAOYSA-N
XLogP2.73
TPSA93.96 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.34
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-[5-(2-fluorophenyl)-2H-tetrazol-2-yl]-N-(4-methoxyphenyl)acetamide
CID 579006
2-((3-((4-(1H-tetrazol-5-yl)benzyl)(methyl)amino)propyl)(methyl)amino)-N-(4-phenoxyphenyl)acetamide
CID 44567664
N-(2-{2-[(4-Ethoxy-phenylcarbamoyl)-methyl]-2H-tetrazol-5-yl}-phenyl)-butyramide
CID 645244
N-(2-{2-[(4-Ethoxy-phenylcarbamoyl)-methyl]-2H-tetrazol-5-yl}-phenyl)-propionamide
CID 646108
N-(2-{2-[(4-Methoxy-phenylcarbamoyl)-methyl]-2H-tetrazol-5-yl}-phenyl)-butyramide
CID 646949
2-[5-(2-Amino-phenyl)-tetrazol-2-yl]-N-(3-methoxy-phenyl)-acetamide
CID 652080
2-[5-(2-Amino-phenyl)-tetrazol-2-yl]-N-(3,4-dimethoxy-phenyl)-acetamide
CID 656361
2-[5-[4-(Dimethylamino)phenyl]tetrazol-2-yl]-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone
CID 1373940
1-[4-(4-Fluorophenyl)piperazin-1-yl]-2-[5-(4-methoxyphenyl)tetrazol-2-yl]ethanone
CID 1373946
2-[5-(2-Aminophenyl)-2-tetrazolyl]-1-[4-(4-methoxyphenyl)-1-piperazinyl]ethanone
CID 1428855
2-[5-(2-Benzenesulfonylamino-phenyl)-tetrazol-2-yl]-N-(4-methoxy-phenyl)-acetamide
CID 1463822
N-[2-[2-(4-methoxyphenyl)tetrazol-5-yl]phenyl]cyclohexanecarboxamide
CID 145978764

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[5-[2-[4-(trifluoromethoxy)anilino]phenyl]tetrazol-2-yl]acetamide?
The IUPAC name of N-methyl-2-[5-[2-[4-(trifluoromethoxy)anilino]phenyl]tetrazol-2-yl]acetamide (CID 135372855) is N-methyl-2-[5-[2-[4-(trifluoromethoxy)anilino]phenyl]tetrazol-2-yl]acetamide.
What is the SMILES notation for N-methyl-2-[5-[2-[4-(trifluoromethoxy)anilino]phenyl]tetrazol-2-yl]acetamide?
The canonical SMILES for N-methyl-2-[5-[2-[4-(trifluoromethoxy)anilino]phenyl]tetrazol-2-yl]acetamide is CNC(=O)Cn1nnc(-c2ccccc2Nc2ccc(OC(F)(F)F)cc2)n1.
What is the InChIKey of N-methyl-2-[5-[2-[4-(trifluoromethoxy)anilino]phenyl]tetrazol-2-yl]acetamide?
The InChIKey is ZSLJQQSBUZAJIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F3N6O2/c1-21-15(27)10-26-24-16(23-25-26)13-4-2-3-5-14(13)22-11-6-8-12(9-7-11)28-17(18,19)20/h2-9,22H,10H2,1H3,(H,21,27).
What are the key properties of N-methyl-2-[5-[2-[4-(trifluoromethoxy)anilino]phenyl]tetrazol-2-yl]acetamide?
N-methyl-2-[5-[2-[4-(trifluoromethoxy)anilino]phenyl]tetrazol-2-yl]acetamide has a molecular weight of 392.34 g/mol, XLogP of 2.73, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[5-[2-[4-(trifluoromethoxy)anilino]phenyl]tetrazol-2-yl]acetamide is sourced from PubChem (CID 135372855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).