2-[(3Z)-6-fluoro-3-[(4-propan-2-ylphenyl)methylidene]inden-1-yl]-N-(2H-tetrazol-5-yl)acetamide

C22H20FN5O — CID 155535039

IUPAC2-[(3Z)-6-fluoro-3-[(4-propan-2-ylphenyl)methylidene]inden-1-yl]-N-(2H-tetrazol-5-yl)acetamide
SMILESCC(C)c1ccc(/C=C2/C=C(CC(=O)Nc3nn[nH]n3)c3cc(F)ccc32)cc1
InChIInChI=1S/C22H20FN5O/c1-13(2)15-5-3-14(4-6-15)9-16-10-17(20-12-18(23)7-8-19(16)20)11-21(29)24-22-25-27-28-26-22/h3-10,12-13H,11H2,1-2H3,(H2,24,25,26,27,28,29)/b16-9-
InChIKeyOJVUGNRMPNICSM-SXGWCWSVSA-N
MW389.43 g/mol
LogP4.43
Rot. Bonds5

About 2-[(3Z)-6-fluoro-3-[(4-propan-2-ylphenyl)methylidene]inden-1-yl]-N-(2H-tetrazol-5-yl)acetamide

2-[(3Z)-6-fluoro-3-[(4-propan-2-ylphenyl)methylidene]inden-1-yl]-N-(2H-tetrazol-5-yl)acetamide (PubChem CID 155535039) has the molecular formula C22H20FN5O and a molecular weight of 389.43 g/mol. Its IUPAC name is 2-[(3Z)-6-fluoro-3-[(4-propan-2-ylphenyl)methylidene]inden-1-yl]-N-(2H-tetrazol-5-yl)acetamide.

Molecular Properties

Compound Name2-[(3Z)-6-fluoro-3-[(4-propan-2-ylphenyl)methylidene]inden-1-yl]-N-(2H-tetrazol-5-yl)acetamide
PubChem CID155535039
Molecular FormulaC22H20FN5O
Molecular Weight389.43 g/mol
Exact Mass389.17
IUPAC Name2-[(3Z)-6-fluoro-3-[(4-propan-2-ylphenyl)methylidene]inden-1-yl]-N-(2H-tetrazol-5-yl)acetamide
SMILESCC(C)c1ccc(/C=C2/C=C(CC(=O)Nc3nn[nH]n3)c3cc(F)ccc32)cc1
InChIInChI=1S/C22H20FN5O/c1-13(2)15-5-3-14(4-6-15)9-16-10-17(20-12-18(23)7-8-19(16)20)11-21(29)24-22-25-27-28-26-22/h3-10,12-13H,11H2,1-2H3,(H2,24,25,26,27,28,29)/b16-9-
InChIKeyOJVUGNRMPNICSM-SXGWCWSVSA-N
XLogP4.43
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.43
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-ethyltetrazol-5-yl)-2,2-diphenylacetamide
CID 965740
N-(2-methyltetrazol-5-yl)-2,2-diphenylacetamide
CID 662625
2,2-diphenyl-N-(2-propyl-2H-tetrazol-5-yl)acetamide
CID 893784
N-(2-butyl-2H-tetrazol-5-yl)-2,2-diphenylacetamide
CID 2219050
3,3-diphenyl-N-(1H-tetrazol-5-yl)propanamide
CID 2166728
3-[3,5-difluoro-4-[(2S)-2-(2H-tetrazol-5-ylcarbamoyl)hexyl]phenyl]benzenesulfonyl fluoride
CID 167312325
(2S)-N-(2H-tetrazol-5-yl)-2-[[4-(trifluoromethyl)phenyl]methyl]butanamide
CID 124848234
N-(2-Difluoromethyl-2H-tetrazol-5-yl)-2,2-diphenyl-acetamide
CID 9880526
3-(2,5-difluorophenyl)-N-(2H-tetrazol-5-yl)propanamide
CID 52885518
N-(2H-tetrazol-5-yl)-3-[4-(trifluoromethyl)phenyl]butanamide
CID 53603625
2-(3-fluorophenyl)-N-(2H-tetrazol-5-yl)cyclopropane-1-carboxamide
CID 56824718
2-(2-fluorobiphenyl-4-yl)-N-(2H-tetrazol-5-yl)propanamide
CID 71710335

Frequently Asked Questions

What is the IUPAC name of 2-[(3Z)-6-fluoro-3-[(4-propan-2-ylphenyl)methylidene]inden-1-yl]-N-(2H-tetrazol-5-yl)acetamide?
The IUPAC name of 2-[(3Z)-6-fluoro-3-[(4-propan-2-ylphenyl)methylidene]inden-1-yl]-N-(2H-tetrazol-5-yl)acetamide (CID 155535039) is 2-[(3Z)-6-fluoro-3-[(4-propan-2-ylphenyl)methylidene]inden-1-yl]-N-(2H-tetrazol-5-yl)acetamide.
What is the SMILES notation for 2-[(3Z)-6-fluoro-3-[(4-propan-2-ylphenyl)methylidene]inden-1-yl]-N-(2H-tetrazol-5-yl)acetamide?
The canonical SMILES for 2-[(3Z)-6-fluoro-3-[(4-propan-2-ylphenyl)methylidene]inden-1-yl]-N-(2H-tetrazol-5-yl)acetamide is CC(C)c1ccc(/C=C2/C=C(CC(=O)Nc3nn[nH]n3)c3cc(F)ccc32)cc1.
What is the InChIKey of 2-[(3Z)-6-fluoro-3-[(4-propan-2-ylphenyl)methylidene]inden-1-yl]-N-(2H-tetrazol-5-yl)acetamide?
The InChIKey is OJVUGNRMPNICSM-SXGWCWSVSA-N. The full InChI is InChI=1S/C22H20FN5O/c1-13(2)15-5-3-14(4-6-15)9-16-10-17(20-12-18(23)7-8-19(16)20)11-21(29)24-22-25-27-28-26-22/h3-10,12-13H,11H2,1-2H3,(H2,24,25,26,27,28,29)/b16-9-.
What are the key properties of 2-[(3Z)-6-fluoro-3-[(4-propan-2-ylphenyl)methylidene]inden-1-yl]-N-(2H-tetrazol-5-yl)acetamide?
2-[(3Z)-6-fluoro-3-[(4-propan-2-ylphenyl)methylidene]inden-1-yl]-N-(2H-tetrazol-5-yl)acetamide has a molecular weight of 389.43 g/mol, XLogP of 4.43, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3Z)-6-fluoro-3-[(4-propan-2-ylphenyl)methylidene]inden-1-yl]-N-(2H-tetrazol-5-yl)acetamide is sourced from PubChem (CID 155535039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).