1-(2-fluorophenyl)-3-[(1-phenyltetrazol-5-yl)methyl]urea

C15H13FN6O — CID 18565987

IUPAC1-(2-fluorophenyl)-3-[(1-phenyltetrazol-5-yl)methyl]urea
SMILESO=C(NCc1nnnn1-c1ccccc1)Nc1ccccc1F
InChIInChI=1S/C15H13FN6O/c16-12-8-4-5-9-13(12)18-15(23)17-10-14-19-20-21-22(14)11-6-2-1-3-7-11/h1-9H,10H2,(H2,17,18,23)
InChIKeyCZMNHPPWGWYGPG-UHFFFAOYSA-N
MW312.31 g/mol
LogP2.12
Rot. Bonds4

About 1-(2-fluorophenyl)-3-[(1-phenyltetrazol-5-yl)methyl]urea

1-(2-fluorophenyl)-3-[(1-phenyltetrazol-5-yl)methyl]urea (PubChem CID 18565987) has the molecular formula C15H13FN6O and a molecular weight of 312.31 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-3-[(1-phenyltetrazol-5-yl)methyl]urea.

Molecular Properties

Compound Name1-(2-fluorophenyl)-3-[(1-phenyltetrazol-5-yl)methyl]urea
PubChem CID18565987
Molecular FormulaC15H13FN6O
Molecular Weight312.31 g/mol
Exact Mass312.11
IUPAC Name1-(2-fluorophenyl)-3-[(1-phenyltetrazol-5-yl)methyl]urea
SMILESO=C(NCc1nnnn1-c1ccccc1)Nc1ccccc1F
InChIInChI=1S/C15H13FN6O/c16-12-8-4-5-9-13(12)18-15(23)17-10-14-19-20-21-22(14)11-6-2-1-3-7-11/h1-9H,10H2,(H2,17,18,23)
InChIKeyCZMNHPPWGWYGPG-UHFFFAOYSA-N
XLogP2.12
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.31
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-N-(2-fluorophenyl)-2-[(R)-(1-phenyltetrazol-5-yl)methylsulfinyl]propanamide
CID 95571898
1-(2-chlorophenyl)-3-[[1-(3-fluorophenyl)tetrazol-5-yl]methyl]urea
CID 18566031
1-(2,6-difluorophenyl)-3-[[1-(3-fluorophenyl)tetrazol-5-yl]methyl]urea
CID 18566026
2-fluoro-N-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]benzamide
CID 16799279
1-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]-3-thiophen-2-ylurea
CID 16799339
2-[(1-phenyltetrazol-5-yl)methylamino]propanoic acid
CID 43467064
N-(2-fluoro-5-methylphenyl)-2-[(1-phenyltetrazol-5-yl)methylsulfanyl]benzamide
CID 55405666
N-[(1-phenyltetrazol-5-yl)methyl]ethanamine
CID 3031920
1-(3-fluoro-4-methylphenyl)-3-[(1-phenyltetrazol-5-yl)methyl]thiourea
CID 167821116
methyl 2,4-difluoro-5-[(1-phenyltetrazol-5-yl)methylamino]benzoate
CID 47063754
1-(2-chloroethyl)-3-[[1-(3-fluorophenyl)tetrazol-5-yl]methyl]urea
CID 18566025
2-(dimethylamino)-2-(2-methylphenyl)-N-[(1-phenyltetrazol-5-yl)methyl]acetamide
CID 72938798

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-3-[(1-phenyltetrazol-5-yl)methyl]urea?
The IUPAC name of 1-(2-fluorophenyl)-3-[(1-phenyltetrazol-5-yl)methyl]urea (CID 18565987) is 1-(2-fluorophenyl)-3-[(1-phenyltetrazol-5-yl)methyl]urea.
What is the SMILES notation for 1-(2-fluorophenyl)-3-[(1-phenyltetrazol-5-yl)methyl]urea?
The canonical SMILES for 1-(2-fluorophenyl)-3-[(1-phenyltetrazol-5-yl)methyl]urea is O=C(NCc1nnnn1-c1ccccc1)Nc1ccccc1F.
What is the InChIKey of 1-(2-fluorophenyl)-3-[(1-phenyltetrazol-5-yl)methyl]urea?
The InChIKey is CZMNHPPWGWYGPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN6O/c16-12-8-4-5-9-13(12)18-15(23)17-10-14-19-20-21-22(14)11-6-2-1-3-7-11/h1-9H,10H2,(H2,17,18,23).
What are the key properties of 1-(2-fluorophenyl)-3-[(1-phenyltetrazol-5-yl)methyl]urea?
1-(2-fluorophenyl)-3-[(1-phenyltetrazol-5-yl)methyl]urea has a molecular weight of 312.31 g/mol, XLogP of 2.12, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-3-[(1-phenyltetrazol-5-yl)methyl]urea is sourced from PubChem (CID 18565987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).