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

C16H14FN5O — CID 46972210

IUPACN-[4-(4-fluorophenyl)phenyl]-3-(tetrazol-1-yl)propanamide
SMILESO=C(CCn1cnnn1)Nc1ccc(-c2ccc(F)cc2)cc1
InChIInChI=1S/C16H14FN5O/c17-14-5-1-12(2-6-14)13-3-7-15(8-4-13)19-16(23)9-10-22-11-18-20-21-22/h1-8,11H,9-10H2,(H,19,23)
InChIKeyQMXRDMLAFGTAIH-UHFFFAOYSA-N
MW311.32 g/mol
LogP2.51
Rot. Bonds5

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

N-[4-(4-fluorophenyl)phenyl]-3-(tetrazol-1-yl)propanamide (PubChem CID 46972210) has the molecular formula C16H14FN5O and a molecular weight of 311.32 g/mol. Its IUPAC name is N-[4-(4-fluorophenyl)phenyl]-3-(tetrazol-1-yl)propanamide.

Molecular Properties

Compound NameN-[4-(4-fluorophenyl)phenyl]-3-(tetrazol-1-yl)propanamide
PubChem CID46972210
Molecular FormulaC16H14FN5O
Molecular Weight311.32 g/mol
Exact Mass311.12
IUPAC NameN-[4-(4-fluorophenyl)phenyl]-3-(tetrazol-1-yl)propanamide
SMILESO=C(CCn1cnnn1)Nc1ccc(-c2ccc(F)cc2)cc1
InChIInChI=1S/C16H14FN5O/c17-14-5-1-12(2-6-14)13-3-7-15(8-4-13)19-16(23)9-10-22-11-18-20-21-22/h1-8,11H,9-10H2,(H,19,23)
InChIKeyQMXRDMLAFGTAIH-UHFFFAOYSA-N
XLogP2.51
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.32
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-acetamidophenyl)-3-(tetrazol-1-yl)propanamide
CID 5297376
N-(4-fluorophenyl)-3-(3-methylpyrazol-1-yl)propanamide
CID 46339386
2-chloro-N-methyl-5-[3-(tetrazol-1-yl)propanoylamino]benzamide
CID 125431915
4-fluoro-N-[4-[1-[[2-(tetrazol-1-yl)acetyl]amino]ethyl]phenyl]benzamide
CID 60537913
[2-(4-fluorophenyl)-2-oxoethyl] 3-(tetrazol-1-yl)propanoate
CID 5301602
N-[4-morpholin-4-yl-3-(trifluoromethyl)phenyl]-3-(tetrazol-1-yl)propanamide
CID 46970101
N-phenyl-2-(tetrazol-1-yl)acetamide
CID 24977364
N-(5-methyl-1,2-oxazol-3-yl)-3-(tetrazol-1-yl)propanamide
CID 5301293
N-(4-fluorophenyl)-3-hydroxypropanamide
CID 12748696
N-[4-(diethylamino)phenyl]-2-(tetrazol-1-yl)acetamide
CID 78776629
3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[4-(4-fluorophenyl)phenyl]propanamide
CID 46969922
propan-2-yl 4-[[2-(tetrazol-1-yl)acetyl]amino]benzoate
CID 17404193

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-fluorophenyl)phenyl]-3-(tetrazol-1-yl)propanamide?
The IUPAC name of N-[4-(4-fluorophenyl)phenyl]-3-(tetrazol-1-yl)propanamide (CID 46972210) is N-[4-(4-fluorophenyl)phenyl]-3-(tetrazol-1-yl)propanamide.
What is the SMILES notation for N-[4-(4-fluorophenyl)phenyl]-3-(tetrazol-1-yl)propanamide?
The canonical SMILES for N-[4-(4-fluorophenyl)phenyl]-3-(tetrazol-1-yl)propanamide is O=C(CCn1cnnn1)Nc1ccc(-c2ccc(F)cc2)cc1.
What is the InChIKey of N-[4-(4-fluorophenyl)phenyl]-3-(tetrazol-1-yl)propanamide?
The InChIKey is QMXRDMLAFGTAIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN5O/c17-14-5-1-12(2-6-14)13-3-7-15(8-4-13)19-16(23)9-10-22-11-18-20-21-22/h1-8,11H,9-10H2,(H,19,23).
What are the key properties of N-[4-(4-fluorophenyl)phenyl]-3-(tetrazol-1-yl)propanamide?
N-[4-(4-fluorophenyl)phenyl]-3-(tetrazol-1-yl)propanamide has a molecular weight of 311.32 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 N-[4-(4-fluorophenyl)phenyl]-3-(tetrazol-1-yl)propanamide is sourced from PubChem (CID 46972210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).