N-(4-methoxyphenyl)-2-[[2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]acetyl]amino]benzamide

C24H19F3N6O3 — CID 17435793

IUPACN-(4-methoxyphenyl)-2-[[2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]acetyl]amino]benzamide
SMILESCOc1ccc(NC(=O)c2ccccc2NC(=O)Cn2nnc(-c3cccc(C(F)(F)F)c3)n2)cc1
InChIInChI=1S/C24H19F3N6O3/c1-36-18-11-9-17(10-12-18)28-23(35)19-7-2-3-8-20(19)29-21(34)14-33-31-22(30-32-33)15-5-4-6-16(13-15)24(25,26)27/h2-13H,14H2,1H3,(H,28,35)(H,29,34)
InChIKeyYFBKHRLXQMHCLS-UHFFFAOYSA-N
MW496.45 g/mol
LogP4.26
Rot. Bonds7

About N-(4-methoxyphenyl)-2-[[2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]acetyl]amino]benzamide

N-(4-methoxyphenyl)-2-[[2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]acetyl]amino]benzamide (PubChem CID 17435793) has the molecular formula C24H19F3N6O3 and a molecular weight of 496.45 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-2-[[2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]acetyl]amino]benzamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-2-[[2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]acetyl]amino]benzamide
PubChem CID17435793
Molecular FormulaC24H19F3N6O3
Molecular Weight496.45 g/mol
Exact Mass496.15
IUPAC NameN-(4-methoxyphenyl)-2-[[2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]acetyl]amino]benzamide
SMILESCOc1ccc(NC(=O)c2ccccc2NC(=O)Cn2nnc(-c3cccc(C(F)(F)F)c3)n2)cc1
InChIInChI=1S/C24H19F3N6O3/c1-36-18-11-9-17(10-12-18)28-23(35)19-7-2-3-8-20(19)29-21(34)14-33-31-22(30-32-33)15-5-4-6-16(13-15)24(25,26)27/h2-13H,14H2,1H3,(H,28,35)(H,29,34)
InChIKeyYFBKHRLXQMHCLS-UHFFFAOYSA-N
XLogP4.26
TPSA111.03 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.45
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-[5-(3-methoxyphenyl)tetrazol-2-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 1373528
N-[(4-methoxyphenyl)methyl]-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]acetamide
CID 2115697
methyl 3-[[2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]acetyl]amino]thiophene-2-carboxylate
CID 2745013
N-(3-chloro-2-methylphenyl)-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]acetamide
CID 2365775
N-(2-nitrophenyl)-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]acetamide
CID 3420474
N-(2,4-dimethylphenyl)-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]acetamide
CID 4796992
N-(2,5-dimethylphenyl)-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]acetamide
CID 4798319
N-(2-chloro-3-pyridinyl)-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]acetamide
CID 7844984
N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]acetamide
CID 31184494
N-(2-methylsulfanylphenyl)-3-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]propanamide
CID 25477677
N-(4-ethoxyphenyl)-2-[5-(3-methoxyphenyl)tetrazol-2-yl]acetamide
CID 3184375
N-pentan-3-yl-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]acetamide
CID 4795699

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-2-[[2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]acetyl]amino]benzamide?
The IUPAC name of N-(4-methoxyphenyl)-2-[[2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]acetyl]amino]benzamide (CID 17435793) is N-(4-methoxyphenyl)-2-[[2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]acetyl]amino]benzamide.
What is the SMILES notation for N-(4-methoxyphenyl)-2-[[2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]acetyl]amino]benzamide?
The canonical SMILES for N-(4-methoxyphenyl)-2-[[2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]acetyl]amino]benzamide is COc1ccc(NC(=O)c2ccccc2NC(=O)Cn2nnc(-c3cccc(C(F)(F)F)c3)n2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-2-[[2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]acetyl]amino]benzamide?
The InChIKey is YFBKHRLXQMHCLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19F3N6O3/c1-36-18-11-9-17(10-12-18)28-23(35)19-7-2-3-8-20(19)29-21(34)14-33-31-22(30-32-33)15-5-4-6-16(13-15)24(25,26)27/h2-13H,14H2,1H3,(H,28,35)(H,29,34).
What are the key properties of N-(4-methoxyphenyl)-2-[[2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]acetyl]amino]benzamide?
N-(4-methoxyphenyl)-2-[[2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]acetyl]amino]benzamide has a molecular weight of 496.45 g/mol, XLogP of 4.26, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-2-[[2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]acetyl]amino]benzamide is sourced from PubChem (CID 17435793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).