N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-3,3-diphenylpropanamide

C22H18FN5O — CID 60556708

IUPACN-[2-fluoro-5-(tetrazol-1-yl)phenyl]-3,3-diphenylpropanamide
SMILESO=C(CC(c1ccccc1)c1ccccc1)Nc1cc(-n2cnnn2)ccc1F
InChIInChI=1S/C22H18FN5O/c23-20-12-11-18(28-15-24-26-27-28)13-21(20)25-22(29)14-19(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-13,15,19H,14H2,(H,25,29)
InChIKeyZTUGXEJJGLTXOL-UHFFFAOYSA-N
MW387.42 g/mol
LogP3.96
Rot. Bonds6

About N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-3,3-diphenylpropanamide

N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-3,3-diphenylpropanamide (PubChem CID 60556708) has the molecular formula C22H18FN5O and a molecular weight of 387.42 g/mol. Its IUPAC name is N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-3,3-diphenylpropanamide.

Molecular Properties

Compound NameN-[2-fluoro-5-(tetrazol-1-yl)phenyl]-3,3-diphenylpropanamide
PubChem CID60556708
Molecular FormulaC22H18FN5O
Molecular Weight387.42 g/mol
Exact Mass387.15
IUPAC NameN-[2-fluoro-5-(tetrazol-1-yl)phenyl]-3,3-diphenylpropanamide
SMILESO=C(CC(c1ccccc1)c1ccccc1)Nc1cc(-n2cnnn2)ccc1F
InChIInChI=1S/C22H18FN5O/c23-20-12-11-18(28-15-24-26-27-28)13-21(20)25-22(29)14-19(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-13,15,19H,14H2,(H,25,29)
InChIKeyZTUGXEJJGLTXOL-UHFFFAOYSA-N
XLogP3.96
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.42
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-3-oxobutanamide
CID 54867267
N-[3-[2-fluoro-5-(tetrazol-1-yl)anilino]-3-oxopropyl]benzamide
CID 55812157
N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-2-(methylamino)acetamide
CID 54862457
4-amino-N-[2-fluoro-5-(tetrazol-1-yl)phenyl]butanamide
CID 54862455
N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-5-hydroxypentanamide
CID 79199600
N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-2-(prop-2-ynylamino)acetamide
CID 79286663
3-(4-fluorophenyl)-N-[2-fluoro-5-(tetrazol-1-yl)phenyl]propanamide
CID 51090538
N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-2-(prop-2-enylamino)acetamide
CID 79285392
2-(4-bromo-2,5-dimethylphenyl)sulfanyl-N-[2-fluoro-5-(tetrazol-1-yl)phenyl]acetamide
CID 55813762
N-[1-[2-fluoro-5-(tetrazol-1-yl)anilino]-3-methyl-1-oxobutan-2-yl]benzamide
CID 55991992
2-[[2-[2-fluoro-5-(tetrazol-1-yl)anilino]acetyl]amino]-N-phenylbenzamide
CID 56514274
(2R)-2-amino-N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-4-methylpentanamide
CID 104902971

Frequently Asked Questions

What is the IUPAC name of N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-3,3-diphenylpropanamide?
The IUPAC name of N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-3,3-diphenylpropanamide (CID 60556708) is N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-3,3-diphenylpropanamide.
What is the SMILES notation for N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-3,3-diphenylpropanamide?
The canonical SMILES for N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-3,3-diphenylpropanamide is O=C(CC(c1ccccc1)c1ccccc1)Nc1cc(-n2cnnn2)ccc1F.
What is the InChIKey of N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-3,3-diphenylpropanamide?
The InChIKey is ZTUGXEJJGLTXOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18FN5O/c23-20-12-11-18(28-15-24-26-27-28)13-21(20)25-22(29)14-19(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-13,15,19H,14H2,(H,25,29).
What are the key properties of N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-3,3-diphenylpropanamide?
N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-3,3-diphenylpropanamide has a molecular weight of 387.42 g/mol, XLogP of 3.96, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-3,3-diphenylpropanamide is sourced from PubChem (CID 60556708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).