N-(3,3-diphenylpropyl)-2-[5-(3-fluorophenyl)tetrazol-2-yl]acetamide

C24H22FN5O — CID 7491021

IUPACN-(3,3-diphenylpropyl)-2-[5-(3-fluorophenyl)tetrazol-2-yl]acetamide
SMILESO=C(Cn1nnc(-c2cccc(F)c2)n1)NCCC(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H22FN5O/c25-21-13-7-12-20(16-21)24-27-29-30(28-24)17-23(31)26-15-14-22(18-8-3-1-4-9-18)19-10-5-2-6-11-19/h1-13,16,22H,14-15,17H2,(H,26,31)
InChIKeyCSIVXDHYIPADII-UHFFFAOYSA-N
MW415.47 g/mol
LogP3.82
Rot. Bonds8

About N-(3,3-diphenylpropyl)-2-[5-(3-fluorophenyl)tetrazol-2-yl]acetamide

N-(3,3-diphenylpropyl)-2-[5-(3-fluorophenyl)tetrazol-2-yl]acetamide (PubChem CID 7491021) has the molecular formula C24H22FN5O and a molecular weight of 415.47 g/mol. Its IUPAC name is N-(3,3-diphenylpropyl)-2-[5-(3-fluorophenyl)tetrazol-2-yl]acetamide.

Molecular Properties

Compound NameN-(3,3-diphenylpropyl)-2-[5-(3-fluorophenyl)tetrazol-2-yl]acetamide
PubChem CID7491021
Molecular FormulaC24H22FN5O
Molecular Weight415.47 g/mol
Exact Mass415.18
IUPAC NameN-(3,3-diphenylpropyl)-2-[5-(3-fluorophenyl)tetrazol-2-yl]acetamide
SMILESO=C(Cn1nnc(-c2cccc(F)c2)n1)NCCC(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H22FN5O/c25-21-13-7-12-20(16-21)24-27-29-30(28-24)17-23(31)26-15-14-22(18-8-3-1-4-9-18)19-10-5-2-6-11-19/h1-13,16,22H,14-15,17H2,(H,26,31)
InChIKeyCSIVXDHYIPADII-UHFFFAOYSA-N
XLogP3.82
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.47
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3,3-diphenylpropyl)-2-(5-phenyltetrazol-2-yl)acetamide
CID 7277981
2-[5-(3-fluorophenyl)tetrazol-2-yl]-N-(2-phenoxyethyl)acetamide
CID 8586996
2-[5-(3-fluorophenyl)tetrazol-2-yl]-N-(2-methylpropyl)acetamide
CID 30823164
N-(3-aminobutyl)-2-(5-phenyltetrazol-2-yl)acetamide
CID 119498184
2-[5-(3-fluorophenyl)tetrazol-2-yl]-N-(2-methylsulfanylphenyl)acetamide
CID 7491301
2-[5-(3-fluorophenyl)tetrazol-2-yl]acetamide
CID 30823221
N-(5-fluoro-2-methylphenyl)-2-[5-(3-fluorophenyl)tetrazol-2-yl]acetamide
CID 18171626
2-[5-(3-fluorophenyl)tetrazol-2-yl]-N-(4-phenoxyphenyl)acetamide
CID 8023934
N-[(1R)-1-cyclopropylethyl]-2-[5-(3-fluorophenyl)tetrazol-2-yl]acetamide
CID 41436763
1-(3-fluorophenyl)-2-[5-(3-fluorophenyl)tetrazol-2-yl]ethanone
CID 8676792
2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-(3-methylbutyl)acetamide
CID 856760
N-(4-bromophenyl)-2-[5-(3-fluorophenyl)tetrazol-2-yl]acetamide
CID 7491173

Frequently Asked Questions

What is the IUPAC name of N-(3,3-diphenylpropyl)-2-[5-(3-fluorophenyl)tetrazol-2-yl]acetamide?
The IUPAC name of N-(3,3-diphenylpropyl)-2-[5-(3-fluorophenyl)tetrazol-2-yl]acetamide (CID 7491021) is N-(3,3-diphenylpropyl)-2-[5-(3-fluorophenyl)tetrazol-2-yl]acetamide.
What is the SMILES notation for N-(3,3-diphenylpropyl)-2-[5-(3-fluorophenyl)tetrazol-2-yl]acetamide?
The canonical SMILES for N-(3,3-diphenylpropyl)-2-[5-(3-fluorophenyl)tetrazol-2-yl]acetamide is O=C(Cn1nnc(-c2cccc(F)c2)n1)NCCC(c1ccccc1)c1ccccc1.
What is the InChIKey of N-(3,3-diphenylpropyl)-2-[5-(3-fluorophenyl)tetrazol-2-yl]acetamide?
The InChIKey is CSIVXDHYIPADII-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22FN5O/c25-21-13-7-12-20(16-21)24-27-29-30(28-24)17-23(31)26-15-14-22(18-8-3-1-4-9-18)19-10-5-2-6-11-19/h1-13,16,22H,14-15,17H2,(H,26,31).
What are the key properties of N-(3,3-diphenylpropyl)-2-[5-(3-fluorophenyl)tetrazol-2-yl]acetamide?
N-(3,3-diphenylpropyl)-2-[5-(3-fluorophenyl)tetrazol-2-yl]acetamide has a molecular weight of 415.47 g/mol, XLogP of 3.82, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-diphenylpropyl)-2-[5-(3-fluorophenyl)tetrazol-2-yl]acetamide is sourced from PubChem (CID 7491021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).