2-[[2-(5-phenyltetrazol-2-yl)acetyl]amino]-N-(2,3,4-trifluorophenyl)acetamide

C17H13F3N6O2 — CID 7634191

IUPAC2-[[2-(5-phenyltetrazol-2-yl)acetyl]amino]-N-(2,3,4-trifluorophenyl)acetamide
SMILESO=C(Cn1nnc(-c2ccccc2)n1)NCC(=O)Nc1ccc(F)c(F)c1F
InChIInChI=1S/C17H13F3N6O2/c18-11-6-7-12(16(20)15(11)19)22-13(27)8-21-14(28)9-26-24-17(23-25-26)10-4-2-1-3-5-10/h1-7H,8-9H2,(H,21,28)(H,22,27)
InChIKeyULJOCLJPLCEFMW-UHFFFAOYSA-N
MW390.33 g/mol
LogP1.51
Rot. Bonds6

About 2-[[2-(5-phenyltetrazol-2-yl)acetyl]amino]-N-(2,3,4-trifluorophenyl)acetamide

2-[[2-(5-phenyltetrazol-2-yl)acetyl]amino]-N-(2,3,4-trifluorophenyl)acetamide (PubChem CID 7634191) has the molecular formula C17H13F3N6O2 and a molecular weight of 390.33 g/mol. Its IUPAC name is 2-[[2-(5-phenyltetrazol-2-yl)acetyl]amino]-N-(2,3,4-trifluorophenyl)acetamide.

Molecular Properties

Compound Name2-[[2-(5-phenyltetrazol-2-yl)acetyl]amino]-N-(2,3,4-trifluorophenyl)acetamide
PubChem CID7634191
Molecular FormulaC17H13F3N6O2
Molecular Weight390.33 g/mol
Exact Mass390.11
IUPAC Name2-[[2-(5-phenyltetrazol-2-yl)acetyl]amino]-N-(2,3,4-trifluorophenyl)acetamide
SMILESO=C(Cn1nnc(-c2ccccc2)n1)NCC(=O)Nc1ccc(F)c(F)c1F
InChIInChI=1S/C17H13F3N6O2/c18-11-6-7-12(16(20)15(11)19)22-13(27)8-21-14(28)9-26-24-17(23-25-26)10-4-2-1-3-5-10/h1-7H,8-9H2,(H,21,28)(H,22,27)
InChIKeyULJOCLJPLCEFMW-UHFFFAOYSA-N
XLogP1.51
TPSA101.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.33
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

N-[(2-fluorophenyl)methyl]-N-[3-(2H-tetrazol-5-yl)phenyl]propanamide
CID 49872776
2-Fluoro-N-{3-[2-(isopropylcarbamoyl-methyl)-2H-tetrazol-5-yl]-phenyl}-benzamide
CID 646056
Cyclopropanecarboxylic acid [2-(2-cyclohexylcarbamoylmethyl-2H-tetrazol-5-yl)-phenyl]-amide
CID 647142
N-(2-{2-[2-(2-Methyl-2,3-dihydro-indol-1-yl)-2-oxo-ethyl]-2H-tetrazol-5-yl}-phenyl)-propionamide
CID 650750
N-[2-(2-Ethyl-2H-tetrazol-5-yl)-phenyl]-2,2,2-trifluoro-acetamide
CID 652435
4-Fluoro-N-(4-{2-[(3-methoxy-propylcarbamoyl)-methyl]-2H-tetrazol-5-yl}-phenyl)-benzamide
CID 656171
2-[5-(2-fluorophenyl)-2-tetrazolyl]-N-[2-oxo-2-[(phenylmethyl)amino]ethyl]-N-(5,6,7,8-tetrahydronaphthalen-1-yl)acetamide
CID 1143706
1-(4-fluorophenyl)-4-[(5-phenyl-2H-tetrazol-2-yl)acetyl]piperazine
CID 1264121
2-fluoro-N-[4-[2-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]tetrazol-5-yl]phenyl]benzamide
CID 1452544
N-(tert-Butylcarbamoyl-methyl)-2-[5-(2-fluoro-phenyl)-tetrazol-2-yl]-N-(5,6,7,8-tetrahydro-naphthalen-1-yl)-acetamide
CID 3190063
N-tert-Butyl-2-[{2-[5-(2-fluoro-phenyl)-tetrazol-2-yl]-acetyl}-(5,6,7,8-tetrahydro-naphthalen-1-yl)-amino]-butyramide
CID 3190066
4-{4-[2-(5-Phenyl-tetrazol-2-yl)-acetylamino]-phenyl}-piperazine-1-carboxylic acid tert-butyl ester
CID 6603560

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(5-phenyltetrazol-2-yl)acetyl]amino]-N-(2,3,4-trifluorophenyl)acetamide?
The IUPAC name of 2-[[2-(5-phenyltetrazol-2-yl)acetyl]amino]-N-(2,3,4-trifluorophenyl)acetamide (CID 7634191) is 2-[[2-(5-phenyltetrazol-2-yl)acetyl]amino]-N-(2,3,4-trifluorophenyl)acetamide.
What is the SMILES notation for 2-[[2-(5-phenyltetrazol-2-yl)acetyl]amino]-N-(2,3,4-trifluorophenyl)acetamide?
The canonical SMILES for 2-[[2-(5-phenyltetrazol-2-yl)acetyl]amino]-N-(2,3,4-trifluorophenyl)acetamide is O=C(Cn1nnc(-c2ccccc2)n1)NCC(=O)Nc1ccc(F)c(F)c1F.
What is the InChIKey of 2-[[2-(5-phenyltetrazol-2-yl)acetyl]amino]-N-(2,3,4-trifluorophenyl)acetamide?
The InChIKey is ULJOCLJPLCEFMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F3N6O2/c18-11-6-7-12(16(20)15(11)19)22-13(27)8-21-14(28)9-26-24-17(23-25-26)10-4-2-1-3-5-10/h1-7H,8-9H2,(H,21,28)(H,22,27).
What are the key properties of 2-[[2-(5-phenyltetrazol-2-yl)acetyl]amino]-N-(2,3,4-trifluorophenyl)acetamide?
2-[[2-(5-phenyltetrazol-2-yl)acetyl]amino]-N-(2,3,4-trifluorophenyl)acetamide has a molecular weight of 390.33 g/mol, XLogP of 1.51, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(5-phenyltetrazol-2-yl)acetyl]amino]-N-(2,3,4-trifluorophenyl)acetamide is sourced from PubChem (CID 7634191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).