1-[4-bromo-2-(2H-tetrazol-5-yl)phenyl]-3-(3-fluorophenyl)urea

C14H10BrFN6O — CID 11660824

IUPAC1-[4-bromo-2-(2H-tetrazol-5-yl)phenyl]-3-(3-fluorophenyl)urea
SMILESO=C(Nc1cccc(F)c1)Nc1ccc(Br)cc1-c1nn[nH]n1
InChIInChI=1S/C14H10BrFN6O/c15-8-4-5-12(11(6-8)13-19-21-22-20-13)18-14(23)17-10-3-1-2-9(16)7-10/h1-7H,(H2,17,18,23)(H,19,20,21,22)
InChIKeyQZGINFKUFFIYKB-UHFFFAOYSA-N
MW377.18 g/mol
LogP3.41
Rot. Bonds3

About 1-[4-bromo-2-(2H-tetrazol-5-yl)phenyl]-3-(3-fluorophenyl)urea

1-[4-bromo-2-(2H-tetrazol-5-yl)phenyl]-3-(3-fluorophenyl)urea (PubChem CID 11660824) has the molecular formula C14H10BrFN6O and a molecular weight of 377.18 g/mol. Its IUPAC name is 1-[4-bromo-2-(2H-tetrazol-5-yl)phenyl]-3-(3-fluorophenyl)urea.

Molecular Properties

Compound Name1-[4-bromo-2-(2H-tetrazol-5-yl)phenyl]-3-(3-fluorophenyl)urea
PubChem CID11660824
Molecular FormulaC14H10BrFN6O
Molecular Weight377.18 g/mol
Exact Mass376.01
IUPAC Name1-[4-bromo-2-(2H-tetrazol-5-yl)phenyl]-3-(3-fluorophenyl)urea
SMILESO=C(Nc1cccc(F)c1)Nc1ccc(Br)cc1-c1nn[nH]n1
InChIInChI=1S/C14H10BrFN6O/c15-8-4-5-12(11(6-8)13-19-21-22-20-13)18-14(23)17-10-3-1-2-9(16)7-10/h1-7H,(H2,17,18,23)(H,19,20,21,22)
InChIKeyQZGINFKUFFIYKB-UHFFFAOYSA-N
XLogP3.41
TPSA95.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.18
LogP ≤ 53.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-bromo-2-(2H-tetrazol-5-yl)phenyl]-3-(3-fluorophenyl)urea?
The IUPAC name of 1-[4-bromo-2-(2H-tetrazol-5-yl)phenyl]-3-(3-fluorophenyl)urea (CID 11660824) is 1-[4-bromo-2-(2H-tetrazol-5-yl)phenyl]-3-(3-fluorophenyl)urea.
What is the SMILES notation for 1-[4-bromo-2-(2H-tetrazol-5-yl)phenyl]-3-(3-fluorophenyl)urea?
The canonical SMILES for 1-[4-bromo-2-(2H-tetrazol-5-yl)phenyl]-3-(3-fluorophenyl)urea is O=C(Nc1cccc(F)c1)Nc1ccc(Br)cc1-c1nn[nH]n1.
What is the InChIKey of 1-[4-bromo-2-(2H-tetrazol-5-yl)phenyl]-3-(3-fluorophenyl)urea?
The InChIKey is QZGINFKUFFIYKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrFN6O/c15-8-4-5-12(11(6-8)13-19-21-22-20-13)18-14(23)17-10-3-1-2-9(16)7-10/h1-7H,(H2,17,18,23)(H,19,20,21,22).
What are the key properties of 1-[4-bromo-2-(2H-tetrazol-5-yl)phenyl]-3-(3-fluorophenyl)urea?
1-[4-bromo-2-(2H-tetrazol-5-yl)phenyl]-3-(3-fluorophenyl)urea has a molecular weight of 377.18 g/mol, XLogP of 3.41, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-bromo-2-(2H-tetrazol-5-yl)phenyl]-3-(3-fluorophenyl)urea is sourced from PubChem (CID 11660824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).