2-[4-[[4-(trifluoromethoxy)benzoyl]amino]phenyl]tetrazole-5-carboxamide

C16H11F3N6O3 — CID 71792227

IUPAC2-[4-[[4-(trifluoromethoxy)benzoyl]amino]phenyl]tetrazole-5-carboxamide
SMILESNC(=O)c1nnn(-c2ccc(NC(=O)c3ccc(OC(F)(F)F)cc3)cc2)n1
InChIInChI=1S/C16H11F3N6O3/c17-16(18,19)28-12-7-1-9(2-8-12)15(27)21-10-3-5-11(6-4-10)25-23-14(13(20)26)22-24-25/h1-8H,(H2,20,26)(H,21,27)
InChIKeyVNXLLMYUWOTNPV-UHFFFAOYSA-N
MW392.30 g/mol
LogP1.91
Rot. Bonds5

About 2-[4-[[4-(trifluoromethoxy)benzoyl]amino]phenyl]tetrazole-5-carboxamide

2-[4-[[4-(trifluoromethoxy)benzoyl]amino]phenyl]tetrazole-5-carboxamide (PubChem CID 71792227) has the molecular formula C16H11F3N6O3 and a molecular weight of 392.30 g/mol. Its IUPAC name is 2-[4-[[4-(trifluoromethoxy)benzoyl]amino]phenyl]tetrazole-5-carboxamide.

Molecular Properties

Compound Name2-[4-[[4-(trifluoromethoxy)benzoyl]amino]phenyl]tetrazole-5-carboxamide
PubChem CID71792227
Molecular FormulaC16H11F3N6O3
Molecular Weight392.30 g/mol
Exact Mass392.08
IUPAC Name2-[4-[[4-(trifluoromethoxy)benzoyl]amino]phenyl]tetrazole-5-carboxamide
SMILESNC(=O)c1nnn(-c2ccc(NC(=O)c3ccc(OC(F)(F)F)cc3)cc2)n1
InChIInChI=1S/C16H11F3N6O3/c17-16(18,19)28-12-7-1-9(2-8-12)15(27)21-10-3-5-11(6-4-10)25-23-14(13(20)26)22-24-25/h1-8H,(H2,20,26)(H,21,27)
InChIKeyVNXLLMYUWOTNPV-UHFFFAOYSA-N
XLogP1.91
TPSA125.02 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.30
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[4-(trifluoromethoxy)phenyl]pyridine-4-carboxamide
CID 2711308
4-sulfanyl-N-[4-(trifluoromethoxy)phenyl]benzamide
CID 107020507
4-methoxy-N-[4-(trifluoromethoxy)phenyl]benzamide
CID 2678249
pyrrolidin-1-yl-[2-[4-(trifluoromethoxy)phenyl]tetrazol-5-yl]methanone
CID 71791619
N-(3-methoxypropyl)-2-[4-(trifluoromethoxy)phenyl]tetrazole-5-carboxamide
CID 71791626
N-(2,2-dimethoxyethyl)-2-[4-(trifluoromethoxy)phenyl]tetrazole-5-carboxamide
CID 71791629
N-(4-acetylphenyl)-2-(4-fluorophenyl)tetrazole-5-carboxamide
CID 71791443
N-[4-(4-methylphenoxy)phenyl]-4-(trifluoromethoxy)benzamide
CID 7925236
N-(3,4-dichlorophenyl)-4-(trifluoromethoxy)benzamide
CID 18267923
N-[4-(pyrrolidine-1-carbonyl)phenyl]-4-(trifluoromethoxy)benzamide
CID 30684530
N-[4-(trifluoromethoxy)phenyl]pyrimidine-5-carboxamide
CID 160971562
[4-(trifluoromethoxy)phenyl]urea
CID 2779224

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[4-(trifluoromethoxy)benzoyl]amino]phenyl]tetrazole-5-carboxamide?
The IUPAC name of 2-[4-[[4-(trifluoromethoxy)benzoyl]amino]phenyl]tetrazole-5-carboxamide (CID 71792227) is 2-[4-[[4-(trifluoromethoxy)benzoyl]amino]phenyl]tetrazole-5-carboxamide.
What is the SMILES notation for 2-[4-[[4-(trifluoromethoxy)benzoyl]amino]phenyl]tetrazole-5-carboxamide?
The canonical SMILES for 2-[4-[[4-(trifluoromethoxy)benzoyl]amino]phenyl]tetrazole-5-carboxamide is NC(=O)c1nnn(-c2ccc(NC(=O)c3ccc(OC(F)(F)F)cc3)cc2)n1.
What is the InChIKey of 2-[4-[[4-(trifluoromethoxy)benzoyl]amino]phenyl]tetrazole-5-carboxamide?
The InChIKey is VNXLLMYUWOTNPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F3N6O3/c17-16(18,19)28-12-7-1-9(2-8-12)15(27)21-10-3-5-11(6-4-10)25-23-14(13(20)26)22-24-25/h1-8H,(H2,20,26)(H,21,27).
What are the key properties of 2-[4-[[4-(trifluoromethoxy)benzoyl]amino]phenyl]tetrazole-5-carboxamide?
2-[4-[[4-(trifluoromethoxy)benzoyl]amino]phenyl]tetrazole-5-carboxamide has a molecular weight of 392.30 g/mol, XLogP of 1.91, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[4-(trifluoromethoxy)benzoyl]amino]phenyl]tetrazole-5-carboxamide is sourced from PubChem (CID 71792227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).