3-(4-fluorophenyl)-N-[2-fluoro-5-(tetrazol-1-yl)phenyl]propanamide

C16H13F2N5O — CID 51090538

IUPAC3-(4-fluorophenyl)-N-[2-fluoro-5-(tetrazol-1-yl)phenyl]propanamide
SMILESO=C(CCc1ccc(F)cc1)Nc1cc(-n2cnnn2)ccc1F
InChIInChI=1S/C16H13F2N5O/c17-12-4-1-11(2-5-12)3-8-16(24)20-15-9-13(6-7-14(15)18)23-10-19-21-22-23/h1-2,4-7,9-10H,3,8H2,(H,20,24)
InChIKeyVCKWIULSZMUSEO-UHFFFAOYSA-N
MW329.31 g/mol
LogP2.51
Rot. Bonds5

About 3-(4-fluorophenyl)-N-[2-fluoro-5-(tetrazol-1-yl)phenyl]propanamide

3-(4-fluorophenyl)-N-[2-fluoro-5-(tetrazol-1-yl)phenyl]propanamide (PubChem CID 51090538) has the molecular formula C16H13F2N5O and a molecular weight of 329.31 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-N-[2-fluoro-5-(tetrazol-1-yl)phenyl]propanamide.

Molecular Properties

Compound Name3-(4-fluorophenyl)-N-[2-fluoro-5-(tetrazol-1-yl)phenyl]propanamide
PubChem CID51090538
Molecular FormulaC16H13F2N5O
Molecular Weight329.31 g/mol
Exact Mass329.11
IUPAC Name3-(4-fluorophenyl)-N-[2-fluoro-5-(tetrazol-1-yl)phenyl]propanamide
SMILESO=C(CCc1ccc(F)cc1)Nc1cc(-n2cnnn2)ccc1F
InChIInChI=1S/C16H13F2N5O/c17-12-4-1-11(2-5-12)3-8-16(24)20-15-9-13(6-7-14(15)18)23-10-19-21-22-23/h1-2,4-7,9-10H,3,8H2,(H,20,24)
InChIKeyVCKWIULSZMUSEO-UHFFFAOYSA-N
XLogP2.51
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.31
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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]-3-oxobutanamide
CID 54867267
N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-2-(methylamino)acetamide
CID 54862457
2-(3,4-dimethoxyphenyl)-N-[2-fluoro-5-(tetrazol-1-yl)phenyl]acetamide
CID 55811964
N-[3-[2-fluoro-5-(tetrazol-1-yl)anilino]-3-oxopropyl]benzamide
CID 55812157
3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-[2-fluoro-5-(tetrazol-1-yl)phenyl]propanamide
CID 55811715
N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-3,3-diphenylpropanamide
CID 60556708
N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-2-(prop-2-ynylamino)acetamide
CID 79286663
N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-2-(prop-2-enylamino)acetamide
CID 79285392
3-(4-fluorophenyl)-N-[3-methyl-4-(tetrazol-1-yl)phenyl]propanamide
CID 134044042
3-phenyl-N-[2-pyrrolidin-1-yl-5-(tetrazol-1-yl)phenyl]propanamide
CID 50777059

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-N-[2-fluoro-5-(tetrazol-1-yl)phenyl]propanamide?
The IUPAC name of 3-(4-fluorophenyl)-N-[2-fluoro-5-(tetrazol-1-yl)phenyl]propanamide (CID 51090538) is 3-(4-fluorophenyl)-N-[2-fluoro-5-(tetrazol-1-yl)phenyl]propanamide.
What is the SMILES notation for 3-(4-fluorophenyl)-N-[2-fluoro-5-(tetrazol-1-yl)phenyl]propanamide?
The canonical SMILES for 3-(4-fluorophenyl)-N-[2-fluoro-5-(tetrazol-1-yl)phenyl]propanamide is O=C(CCc1ccc(F)cc1)Nc1cc(-n2cnnn2)ccc1F.
What is the InChIKey of 3-(4-fluorophenyl)-N-[2-fluoro-5-(tetrazol-1-yl)phenyl]propanamide?
The InChIKey is VCKWIULSZMUSEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F2N5O/c17-12-4-1-11(2-5-12)3-8-16(24)20-15-9-13(6-7-14(15)18)23-10-19-21-22-23/h1-2,4-7,9-10H,3,8H2,(H,20,24).
What are the key properties of 3-(4-fluorophenyl)-N-[2-fluoro-5-(tetrazol-1-yl)phenyl]propanamide?
3-(4-fluorophenyl)-N-[2-fluoro-5-(tetrazol-1-yl)phenyl]propanamide has a molecular weight of 329.31 g/mol, XLogP of 2.51, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-N-[2-fluoro-5-(tetrazol-1-yl)phenyl]propanamide is sourced from PubChem (CID 51090538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).