3-(4-fluorophenyl)-N-(2H-tetrazol-5-ylmethyl)prop-2-enamide

C11H10FN5O — CID 78977264

IUPAC3-(4-fluorophenyl)-N-(2H-tetrazol-5-ylmethyl)prop-2-enamide
SMILESO=C(C=Cc1ccc(F)cc1)NCc1nn[nH]n1
InChIInChI=1S/C11H10FN5O/c12-9-4-1-8(2-5-9)3-6-11(18)13-7-10-14-16-17-15-10/h1-6H,7H2,(H,13,18)(H,14,15,16,17)
InChIKeyOLUFGDDOFFUWEE-UHFFFAOYSA-N
MW247.23 g/mol
LogP0.67
Rot. Bonds4

About 3-(4-fluorophenyl)-N-(2H-tetrazol-5-ylmethyl)prop-2-enamide

3-(4-fluorophenyl)-N-(2H-tetrazol-5-ylmethyl)prop-2-enamide (PubChem CID 78977264) has the molecular formula C11H10FN5O and a molecular weight of 247.23 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-N-(2H-tetrazol-5-ylmethyl)prop-2-enamide.

Molecular Properties

Compound Name3-(4-fluorophenyl)-N-(2H-tetrazol-5-ylmethyl)prop-2-enamide
PubChem CID78977264
Molecular FormulaC11H10FN5O
Molecular Weight247.23 g/mol
Exact Mass247.09
IUPAC Name3-(4-fluorophenyl)-N-(2H-tetrazol-5-ylmethyl)prop-2-enamide
SMILESO=C(C=Cc1ccc(F)cc1)NCc1nn[nH]n1
InChIInChI=1S/C11H10FN5O/c12-9-4-1-8(2-5-9)3-6-11(18)13-7-10-14-16-17-15-10/h1-6H,7H2,(H,13,18)(H,14,15,16,17)
InChIKeyOLUFGDDOFFUWEE-UHFFFAOYSA-N
XLogP0.67
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.23
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 3-(4-fluorophenyl)-N-(2H-tetrazol-5-ylmethyl)prop-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(2-chloro-6-fluorophenyl)-N-(2H-tetrazol-5-ylmethyl)prop-2-enamide
CID 76924418
N-[(4-fluorophenyl)methyl]-3-(4-methylphenyl)prop-2-enamide
CID 868947
(E)-3-(4-fluorophenyl)-N-[(2-fluorophenyl)methyl]prop-2-enamide
CID 7758290
3-(4-fluorophenyl)-N-[8-[3-(4-fluorophenyl)prop-2-enoylamino]octyl]prop-2-enamide
CID 5142775
N-[(3,4-dichlorophenyl)methyl]-3-(4-fluorophenyl)prop-2-enamide
CID 5049384
(E)-3-(4-fluorophenyl)-N-[[6-(4-fluorophenyl)pyrimidin-4-yl]methyl]prop-2-enamide
CID 122262836
4-[[[(E)-3-(4-fluorophenyl)prop-2-enoyl]amino]methyl]benzoic acid
CID 17171986
(E)-3-(4-fluorophenyl)-N-(pyridin-3-ylmethyl)prop-2-enamide
CID 790889
(E)-3-(4-fluorophenyl)-N-prop-2-enylprop-2-enamide
CID 6143200
(E)-3-(4-fluorophenyl)-N-[(3-methyl-2-pyridinyl)methyl]prop-2-enamide
CID 56826676
(E)-3-(4-fluorophenyl)-N-(2-methylpropyl)prop-2-enamide
CID 771161
(E)-N-[(1-ethylpyrazol-4-yl)methyl]-3-(4-fluorophenyl)prop-2-enamide
CID 19290573

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-N-(2H-tetrazol-5-ylmethyl)prop-2-enamide?
The IUPAC name of 3-(4-fluorophenyl)-N-(2H-tetrazol-5-ylmethyl)prop-2-enamide (CID 78977264) is 3-(4-fluorophenyl)-N-(2H-tetrazol-5-ylmethyl)prop-2-enamide.
What is the SMILES notation for 3-(4-fluorophenyl)-N-(2H-tetrazol-5-ylmethyl)prop-2-enamide?
The canonical SMILES for 3-(4-fluorophenyl)-N-(2H-tetrazol-5-ylmethyl)prop-2-enamide is O=C(C=Cc1ccc(F)cc1)NCc1nn[nH]n1.
What is the InChIKey of 3-(4-fluorophenyl)-N-(2H-tetrazol-5-ylmethyl)prop-2-enamide?
The InChIKey is OLUFGDDOFFUWEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FN5O/c12-9-4-1-8(2-5-9)3-6-11(18)13-7-10-14-16-17-15-10/h1-6H,7H2,(H,13,18)(H,14,15,16,17).
What are the key properties of 3-(4-fluorophenyl)-N-(2H-tetrazol-5-ylmethyl)prop-2-enamide?
3-(4-fluorophenyl)-N-(2H-tetrazol-5-ylmethyl)prop-2-enamide has a molecular weight of 247.23 g/mol, XLogP of 0.67, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-N-(2H-tetrazol-5-ylmethyl)prop-2-enamide is sourced from PubChem (CID 78977264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).