1-(2,6-difluorophenyl)-3-[[1-(3-fluorophenyl)tetrazol-5-yl]methyl]urea

C15H11F3N6O — CID 18566026

IUPAC1-(2,6-difluorophenyl)-3-[[1-(3-fluorophenyl)tetrazol-5-yl]methyl]urea
SMILESO=C(NCc1nnnn1-c1cccc(F)c1)Nc1c(F)cccc1F
InChIInChI=1S/C15H11F3N6O/c16-9-3-1-4-10(7-9)24-13(21-22-23-24)8-19-15(25)20-14-11(17)5-2-6-12(14)18/h1-7H,8H2,(H2,19,20,25)
InChIKeyOPSDDZSHFDPYAK-UHFFFAOYSA-N
MW348.29 g/mol
LogP2.40
Rot. Bonds4

About 1-(2,6-difluorophenyl)-3-[[1-(3-fluorophenyl)tetrazol-5-yl]methyl]urea

1-(2,6-difluorophenyl)-3-[[1-(3-fluorophenyl)tetrazol-5-yl]methyl]urea (PubChem CID 18566026) has the molecular formula C15H11F3N6O and a molecular weight of 348.29 g/mol. Its IUPAC name is 1-(2,6-difluorophenyl)-3-[[1-(3-fluorophenyl)tetrazol-5-yl]methyl]urea.

Molecular Properties

Compound Name1-(2,6-difluorophenyl)-3-[[1-(3-fluorophenyl)tetrazol-5-yl]methyl]urea
PubChem CID18566026
Molecular FormulaC15H11F3N6O
Molecular Weight348.29 g/mol
Exact Mass348.09
IUPAC Name1-(2,6-difluorophenyl)-3-[[1-(3-fluorophenyl)tetrazol-5-yl]methyl]urea
SMILESO=C(NCc1nnnn1-c1cccc(F)c1)Nc1c(F)cccc1F
InChIInChI=1S/C15H11F3N6O/c16-9-3-1-4-10(7-9)24-13(21-22-23-24)8-19-15(25)20-14-11(17)5-2-6-12(14)18/h1-7H,8H2,(H2,19,20,25)
InChIKeyOPSDDZSHFDPYAK-UHFFFAOYSA-N
XLogP2.40
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.29
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-chlorophenyl)-3-[[1-(3-fluorophenyl)tetrazol-5-yl]methyl]urea
CID 18566031
1-(2-chloroethyl)-3-[[1-(3-fluorophenyl)tetrazol-5-yl]methyl]urea
CID 18566025
1-(3,4-dimethoxyphenyl)-3-[[1-(3-fluorophenyl)tetrazol-5-yl]methyl]urea
CID 18566017
1-(2-fluorophenyl)-3-[(1-phenyltetrazol-5-yl)methyl]urea
CID 18565987
4-chloro-N-[[1-(3-fluorophenyl)tetrazol-5-yl]methyl]benzenesulfonamide
CID 16809041
1-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]-3-thiophen-2-ylurea
CID 16799339
2-fluoro-N-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]benzamide
CID 16799279
1-[[1-(3,4-difluorophenyl)tetrazol-5-yl]methyl]-3-(thiophen-2-ylmethyl)urea
CID 18566100
N-[[1-(3-fluorophenyl)tetrazol-5-yl]methyl]-2-(trifluoromethyl)benzenesulfonamide
CID 16809052
2-chloro-6-fluoro-N-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]benzamide
CID 18565796
N-[[1-(3,4-difluorophenyl)tetrazol-5-yl]methyl]naphthalene-1-carboxamide
CID 18565743
1-(3-methoxyphenyl)-3-[[1-(4-methoxyphenyl)tetrazol-5-yl]methyl]urea
CID 18565917

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-difluorophenyl)-3-[[1-(3-fluorophenyl)tetrazol-5-yl]methyl]urea?
The IUPAC name of 1-(2,6-difluorophenyl)-3-[[1-(3-fluorophenyl)tetrazol-5-yl]methyl]urea (CID 18566026) is 1-(2,6-difluorophenyl)-3-[[1-(3-fluorophenyl)tetrazol-5-yl]methyl]urea.
What is the SMILES notation for 1-(2,6-difluorophenyl)-3-[[1-(3-fluorophenyl)tetrazol-5-yl]methyl]urea?
The canonical SMILES for 1-(2,6-difluorophenyl)-3-[[1-(3-fluorophenyl)tetrazol-5-yl]methyl]urea is O=C(NCc1nnnn1-c1cccc(F)c1)Nc1c(F)cccc1F.
What is the InChIKey of 1-(2,6-difluorophenyl)-3-[[1-(3-fluorophenyl)tetrazol-5-yl]methyl]urea?
The InChIKey is OPSDDZSHFDPYAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F3N6O/c16-9-3-1-4-10(7-9)24-13(21-22-23-24)8-19-15(25)20-14-11(17)5-2-6-12(14)18/h1-7H,8H2,(H2,19,20,25).
What are the key properties of 1-(2,6-difluorophenyl)-3-[[1-(3-fluorophenyl)tetrazol-5-yl]methyl]urea?
1-(2,6-difluorophenyl)-3-[[1-(3-fluorophenyl)tetrazol-5-yl]methyl]urea has a molecular weight of 348.29 g/mol, XLogP of 2.40, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-difluorophenyl)-3-[[1-(3-fluorophenyl)tetrazol-5-yl]methyl]urea is sourced from PubChem (CID 18566026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).