N-[(E)-2,3-dihydroinden-1-ylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide

C18H16N6O — CID 6153371

IUPACN-[(E)-2,3-dihydroinden-1-ylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide
SMILESO=C(Cn1nnc(-c2ccccc2)n1)N/N=C1\CCc2ccccc21
InChIInChI=1S/C18H16N6O/c25-17(20-19-16-11-10-13-6-4-5-9-15(13)16)12-24-22-18(21-23-24)14-7-2-1-3-8-14/h1-9H,10-12H2,(H,20,25)/b19-16+
InChIKeyOQTPSUVCLWPWOW-KNTRCKAVSA-N
MW332.37 g/mol
LogP1.81
Rot. Bonds4

About N-[(E)-2,3-dihydroinden-1-ylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide

N-[(E)-2,3-dihydroinden-1-ylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide (PubChem CID 6153371) has the molecular formula C18H16N6O and a molecular weight of 332.37 g/mol. Its IUPAC name is N-[(E)-2,3-dihydroinden-1-ylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide.

Molecular Properties

Compound NameN-[(E)-2,3-dihydroinden-1-ylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide
PubChem CID6153371
Molecular FormulaC18H16N6O
Molecular Weight332.37 g/mol
Exact Mass332.14
IUPAC NameN-[(E)-2,3-dihydroinden-1-ylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide
SMILESO=C(Cn1nnc(-c2ccccc2)n1)N/N=C1\CCc2ccccc21
InChIInChI=1S/C18H16N6O/c25-17(20-19-16-11-10-13-6-4-5-9-15(13)16)12-24-22-18(21-23-24)14-7-2-1-3-8-14/h1-9H,10-12H2,(H,20,25)/b19-16+
InChIKeyOQTPSUVCLWPWOW-KNTRCKAVSA-N
XLogP1.81
TPSA85.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.37
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(Z)-3,4-dihydro-2H-naphthalen-1-ylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide
CID 7929871
N-[(E)-(2-oxoacenaphthylen-1-ylidene)amino]-2-(5-phenyltetrazol-2-yl)acetamide
CID 7929889
N-(benzylideneamino)-2-(5-phenyltetrazol-2-yl)acetamide
CID 568805
N-[(Z)-[(1R,5S)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-2-(5-phenyltetrazol-2-yl)acetamide
CID 8524141
2-(5-phenyltetrazol-2-yl)acetic acid
CID 1086563
N-[(E)-2,3-dihydroinden-1-ylideneamino]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 7789881
N-[(Z)-[(3S)-3-methylpentan-2-ylidene]amino]-2-(5-phenyltetrazol-2-yl)acetamide
CID 8524115
N-(dicyclopropylmethyl)-2-(5-phenyltetrazol-2-yl)acetamide
CID 29466684
N-[(Z)-(4-methylphenyl)methylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide
CID 7728239
N-[(E)-(3,4-difluorophenyl)methylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide
CID 6902043
N-[(E)-2,3-dihydroinden-1-ylideneamino]-2-pyridin-1-ium-1-ylacetamide
CID 6085414
N-(benzhydrylideneamino)-2-[5-(4-fluorophenyl)tetrazol-2-yl]acetamide
CID 9355676

Frequently Asked Questions

What is the IUPAC name of N-[(E)-2,3-dihydroinden-1-ylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide?
The IUPAC name of N-[(E)-2,3-dihydroinden-1-ylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide (CID 6153371) is N-[(E)-2,3-dihydroinden-1-ylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide.
What is the SMILES notation for N-[(E)-2,3-dihydroinden-1-ylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide?
The canonical SMILES for N-[(E)-2,3-dihydroinden-1-ylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide is O=C(Cn1nnc(-c2ccccc2)n1)N/N=C1\CCc2ccccc21.
What is the InChIKey of N-[(E)-2,3-dihydroinden-1-ylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide?
The InChIKey is OQTPSUVCLWPWOW-KNTRCKAVSA-N. The full InChI is InChI=1S/C18H16N6O/c25-17(20-19-16-11-10-13-6-4-5-9-15(13)16)12-24-22-18(21-23-24)14-7-2-1-3-8-14/h1-9H,10-12H2,(H,20,25)/b19-16+.
What are the key properties of N-[(E)-2,3-dihydroinden-1-ylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide?
N-[(E)-2,3-dihydroinden-1-ylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide has a molecular weight of 332.37 g/mol, XLogP of 1.81, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-2,3-dihydroinden-1-ylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide is sourced from PubChem (CID 6153371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).