[4-(4-fluorophenyl)-2-(2H-tetrazol-5-yl)phenyl]carbamic acid

C14H10FN5O2 — CID 22396284

IUPAC[4-(4-fluorophenyl)-2-(2H-tetrazol-5-yl)phenyl]carbamic acid
SMILESO=C(O)Nc1ccc(-c2ccc(F)cc2)cc1-c1nn[nH]n1
InChIInChI=1S/C14H10FN5O2/c15-10-4-1-8(2-5-10)9-3-6-12(16-14(21)22)11(7-9)13-17-19-20-18-13/h1-7,16H,(H,21,22)(H,17,18,19,20)
InChIKeyVAFDJTVVPFVHNQ-UHFFFAOYSA-N
MW299.27 g/mol
LogP2.76
Rot. Bonds3

About [4-(4-fluorophenyl)-2-(2H-tetrazol-5-yl)phenyl]carbamic acid

[4-(4-fluorophenyl)-2-(2H-tetrazol-5-yl)phenyl]carbamic acid (PubChem CID 22396284) has the molecular formula C14H10FN5O2 and a molecular weight of 299.27 g/mol. Its IUPAC name is [4-(4-fluorophenyl)-2-(2H-tetrazol-5-yl)phenyl]carbamic acid.

Molecular Properties

Compound Name[4-(4-fluorophenyl)-2-(2H-tetrazol-5-yl)phenyl]carbamic acid
PubChem CID22396284
Molecular FormulaC14H10FN5O2
Molecular Weight299.27 g/mol
Exact Mass299.08
IUPAC Name[4-(4-fluorophenyl)-2-(2H-tetrazol-5-yl)phenyl]carbamic acid
SMILESO=C(O)Nc1ccc(-c2ccc(F)cc2)cc1-c1nn[nH]n1
InChIInChI=1S/C14H10FN5O2/c15-10-4-1-8(2-5-10)9-3-6-12(16-14(21)22)11(7-9)13-17-19-20-18-13/h1-7,16H,(H,21,22)(H,17,18,19,20)
InChIKeyVAFDJTVVPFVHNQ-UHFFFAOYSA-N
XLogP2.76
TPSA103.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.27
LogP ≤ 52.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-(4-fluorophenyl)-2-(2H-tetrazol-5-yl)phenyl]carbamic acid?
The IUPAC name of [4-(4-fluorophenyl)-2-(2H-tetrazol-5-yl)phenyl]carbamic acid (CID 22396284) is [4-(4-fluorophenyl)-2-(2H-tetrazol-5-yl)phenyl]carbamic acid.
What is the SMILES notation for [4-(4-fluorophenyl)-2-(2H-tetrazol-5-yl)phenyl]carbamic acid?
The canonical SMILES for [4-(4-fluorophenyl)-2-(2H-tetrazol-5-yl)phenyl]carbamic acid is O=C(O)Nc1ccc(-c2ccc(F)cc2)cc1-c1nn[nH]n1.
What is the InChIKey of [4-(4-fluorophenyl)-2-(2H-tetrazol-5-yl)phenyl]carbamic acid?
The InChIKey is VAFDJTVVPFVHNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10FN5O2/c15-10-4-1-8(2-5-10)9-3-6-12(16-14(21)22)11(7-9)13-17-19-20-18-13/h1-7,16H,(H,21,22)(H,17,18,19,20).
What are the key properties of [4-(4-fluorophenyl)-2-(2H-tetrazol-5-yl)phenyl]carbamic acid?
[4-(4-fluorophenyl)-2-(2H-tetrazol-5-yl)phenyl]carbamic acid has a molecular weight of 299.27 g/mol, XLogP of 2.76, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-fluorophenyl)-2-(2H-tetrazol-5-yl)phenyl]carbamic acid is sourced from PubChem (CID 22396284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).