N-[4-[2-[5-(4-fluorophenyl)tetrazol-2-yl]acetyl]phenyl]benzamide

C22H16FN5O2 — CID 7489526

IUPACN-[4-[2-[5-(4-fluorophenyl)tetrazol-2-yl]acetyl]phenyl]benzamide
SMILESO=C(Cn1nnc(-c2ccc(F)cc2)n1)c1ccc(NC(=O)c2ccccc2)cc1
InChIInChI=1S/C22H16FN5O2/c23-18-10-6-16(7-11-18)21-25-27-28(26-21)14-20(29)15-8-12-19(13-9-15)24-22(30)17-4-2-1-3-5-17/h1-13H,14H2,(H,24,30)
InChIKeyGORZVPGTLSEWHM-UHFFFAOYSA-N
MW401.40 g/mol
LogP3.61
Rot. Bonds6

About N-[4-[2-[5-(4-fluorophenyl)tetrazol-2-yl]acetyl]phenyl]benzamide

N-[4-[2-[5-(4-fluorophenyl)tetrazol-2-yl]acetyl]phenyl]benzamide (PubChem CID 7489526) has the molecular formula C22H16FN5O2 and a molecular weight of 401.40 g/mol. Its IUPAC name is N-[4-[2-[5-(4-fluorophenyl)tetrazol-2-yl]acetyl]phenyl]benzamide.

Molecular Properties

Compound NameN-[4-[2-[5-(4-fluorophenyl)tetrazol-2-yl]acetyl]phenyl]benzamide
PubChem CID7489526
Molecular FormulaC22H16FN5O2
Molecular Weight401.40 g/mol
Exact Mass401.13
IUPAC NameN-[4-[2-[5-(4-fluorophenyl)tetrazol-2-yl]acetyl]phenyl]benzamide
SMILESO=C(Cn1nnc(-c2ccc(F)cc2)n1)c1ccc(NC(=O)c2ccccc2)cc1
InChIInChI=1S/C22H16FN5O2/c23-18-10-6-16(7-11-18)21-25-27-28(26-21)14-20(29)15-8-12-19(13-9-15)24-22(30)17-4-2-1-3-5-17/h1-13H,14H2,(H,24,30)
InChIKeyGORZVPGTLSEWHM-UHFFFAOYSA-N
XLogP3.61
TPSA89.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.40
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-phenylacetamide
CID 860418
N-[4-[2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]tetrazol-5-yl]phenyl]-4-fluorobenzamide
CID 1440082
N-[4-[2-(5-phenyltetrazol-2-yl)acetyl]phenyl]butanamide
CID 51173918
1-(4-fluorophenyl)-2-(5-pyridin-3-yltetrazol-2-yl)ethanone
CID 860973
N-[4-[2-[2-(2,4-dimethoxyanilino)-2-oxoethyl]tetrazol-5-yl]phenyl]-4-fluorobenzamide
CID 1440057
N-(benzhydrylideneamino)-2-[5-(4-fluorophenyl)tetrazol-2-yl]acetamide
CID 9355676
2-fluoro-N-[4-[2-[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl]tetrazol-5-yl]phenyl]benzamide
CID 1440135
4-benzoyl-N-(4-fluorophenyl)benzamide
CID 2315903
N-(4-tert-butylphenyl)-2-(5-phenyltetrazol-2-yl)acetamide
CID 16508157
N-[[4-[2-(5-phenyltetrazol-2-yl)acetyl]phenyl]methyl]acetamide
CID 17410653
1-(3-chloro-4-methoxyphenyl)-2-[5-(4-fluorophenyl)tetrazol-2-yl]ethanone
CID 7489523
N-(4-fluorophenyl)-2-[5-(4-morpholin-4-ylphenyl)tetrazol-2-yl]acetamide
CID 1166105

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[5-(4-fluorophenyl)tetrazol-2-yl]acetyl]phenyl]benzamide?
The IUPAC name of N-[4-[2-[5-(4-fluorophenyl)tetrazol-2-yl]acetyl]phenyl]benzamide (CID 7489526) is N-[4-[2-[5-(4-fluorophenyl)tetrazol-2-yl]acetyl]phenyl]benzamide.
What is the SMILES notation for N-[4-[2-[5-(4-fluorophenyl)tetrazol-2-yl]acetyl]phenyl]benzamide?
The canonical SMILES for N-[4-[2-[5-(4-fluorophenyl)tetrazol-2-yl]acetyl]phenyl]benzamide is O=C(Cn1nnc(-c2ccc(F)cc2)n1)c1ccc(NC(=O)c2ccccc2)cc1.
What is the InChIKey of N-[4-[2-[5-(4-fluorophenyl)tetrazol-2-yl]acetyl]phenyl]benzamide?
The InChIKey is GORZVPGTLSEWHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16FN5O2/c23-18-10-6-16(7-11-18)21-25-27-28(26-21)14-20(29)15-8-12-19(13-9-15)24-22(30)17-4-2-1-3-5-17/h1-13H,14H2,(H,24,30).
What are the key properties of N-[4-[2-[5-(4-fluorophenyl)tetrazol-2-yl]acetyl]phenyl]benzamide?
N-[4-[2-[5-(4-fluorophenyl)tetrazol-2-yl]acetyl]phenyl]benzamide has a molecular weight of 401.40 g/mol, XLogP of 3.61, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[5-(4-fluorophenyl)tetrazol-2-yl]acetyl]phenyl]benzamide is sourced from PubChem (CID 7489526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).