N-(benzhydrylideneamino)-2-[5-(4-fluorophenyl)tetrazol-2-yl]acetamide

C22H17FN6O — CID 9355676

IUPACN-(benzhydrylideneamino)-2-[5-(4-fluorophenyl)tetrazol-2-yl]acetamide
SMILESO=C(Cn1nnc(-c2ccc(F)cc2)n1)NN=C(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H17FN6O/c23-19-13-11-18(12-14-19)22-26-28-29(27-22)15-20(30)24-25-21(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-14H,15H2,(H,24,30)
InChIKeyCDENYWSGOUENLV-UHFFFAOYSA-N
MW400.42 g/mol
LogP3.05
Rot. Bonds6

About N-(benzhydrylideneamino)-2-[5-(4-fluorophenyl)tetrazol-2-yl]acetamide

N-(benzhydrylideneamino)-2-[5-(4-fluorophenyl)tetrazol-2-yl]acetamide (PubChem CID 9355676) has the molecular formula C22H17FN6O and a molecular weight of 400.42 g/mol. Its IUPAC name is N-(benzhydrylideneamino)-2-[5-(4-fluorophenyl)tetrazol-2-yl]acetamide.

Molecular Properties

Compound NameN-(benzhydrylideneamino)-2-[5-(4-fluorophenyl)tetrazol-2-yl]acetamide
PubChem CID9355676
Molecular FormulaC22H17FN6O
Molecular Weight400.42 g/mol
Exact Mass400.14
IUPAC NameN-(benzhydrylideneamino)-2-[5-(4-fluorophenyl)tetrazol-2-yl]acetamide
SMILESO=C(Cn1nnc(-c2ccc(F)cc2)n1)NN=C(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H17FN6O/c23-19-13-11-18(12-14-19)22-26-28-29(27-22)15-20(30)24-25-21(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-14H,15H2,(H,24,30)
InChIKeyCDENYWSGOUENLV-UHFFFAOYSA-N
XLogP3.05
TPSA85.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.42
LogP ≤ 53.05
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

2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-phenylacetamide
CID 860418
N-[(Z)-[(3S)-3-methylpentan-2-ylidene]amino]-2-(5-phenyltetrazol-2-yl)acetamide
CID 8524115
N-[4-[2-[5-(4-fluorophenyl)tetrazol-2-yl]acetyl]phenyl]benzamide
CID 7489526
N-[(Z)-(3-bromophenyl)methylideneamino]-2-[5-(4-fluorophenyl)tetrazol-2-yl]acetamide
CID 6032432
N-(benzylideneamino)-2-(5-phenyltetrazol-2-yl)acetamide
CID 568805
2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-(2-methylpropyl)acetamide
CID 7465882
2-(5-phenyltetrazol-2-yl)acetic acid
CID 1086563
N-[(E)-(5-fluorothiophen-2-yl)methylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide
CID 119055721
N-[(Z)-(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-2-[5-(4-fluorophenyl)tetrazol-2-yl]acetamide
CID 137127449
N-[1-(furan-2-yl)ethylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide
CID 3578555
2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-[(R)-(4-methoxyphenyl)-phenylmethyl]acetamide
CID 8588061
2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-(3-methylbutyl)acetamide
CID 856760

Frequently Asked Questions

What is the IUPAC name of N-(benzhydrylideneamino)-2-[5-(4-fluorophenyl)tetrazol-2-yl]acetamide?
The IUPAC name of N-(benzhydrylideneamino)-2-[5-(4-fluorophenyl)tetrazol-2-yl]acetamide (CID 9355676) is N-(benzhydrylideneamino)-2-[5-(4-fluorophenyl)tetrazol-2-yl]acetamide.
What is the SMILES notation for N-(benzhydrylideneamino)-2-[5-(4-fluorophenyl)tetrazol-2-yl]acetamide?
The canonical SMILES for N-(benzhydrylideneamino)-2-[5-(4-fluorophenyl)tetrazol-2-yl]acetamide is O=C(Cn1nnc(-c2ccc(F)cc2)n1)NN=C(c1ccccc1)c1ccccc1.
What is the InChIKey of N-(benzhydrylideneamino)-2-[5-(4-fluorophenyl)tetrazol-2-yl]acetamide?
The InChIKey is CDENYWSGOUENLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17FN6O/c23-19-13-11-18(12-14-19)22-26-28-29(27-22)15-20(30)24-25-21(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-14H,15H2,(H,24,30).
What are the key properties of N-(benzhydrylideneamino)-2-[5-(4-fluorophenyl)tetrazol-2-yl]acetamide?
N-(benzhydrylideneamino)-2-[5-(4-fluorophenyl)tetrazol-2-yl]acetamide has a molecular weight of 400.42 g/mol, XLogP of 3.05, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(benzhydrylideneamino)-2-[5-(4-fluorophenyl)tetrazol-2-yl]acetamide is sourced from PubChem (CID 9355676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).