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

C15H12ClFN6O — CID 18566031

IUPAC1-(2-chlorophenyl)-3-[[1-(3-fluorophenyl)tetrazol-5-yl]methyl]urea
SMILESO=C(NCc1nnnn1-c1cccc(F)c1)Nc1ccccc1Cl
InChIInChI=1S/C15H12ClFN6O/c16-12-6-1-2-7-13(12)19-15(24)18-9-14-20-21-22-23(14)11-5-3-4-10(17)8-11/h1-8H,9H2,(H2,18,19,24)
InChIKeyYDTYSKAIVYXJFQ-UHFFFAOYSA-N
MW346.75 g/mol
LogP2.78
Rot. Bonds4

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

1-(2-chlorophenyl)-3-[[1-(3-fluorophenyl)tetrazol-5-yl]methyl]urea (PubChem CID 18566031) has the molecular formula C15H12ClFN6O and a molecular weight of 346.75 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-3-[[1-(3-fluorophenyl)tetrazol-5-yl]methyl]urea.

Molecular Properties

Compound Name1-(2-chlorophenyl)-3-[[1-(3-fluorophenyl)tetrazol-5-yl]methyl]urea
PubChem CID18566031
Molecular FormulaC15H12ClFN6O
Molecular Weight346.75 g/mol
Exact Mass346.07
IUPAC Name1-(2-chlorophenyl)-3-[[1-(3-fluorophenyl)tetrazol-5-yl]methyl]urea
SMILESO=C(NCc1nnnn1-c1cccc(F)c1)Nc1ccccc1Cl
InChIInChI=1S/C15H12ClFN6O/c16-12-6-1-2-7-13(12)19-15(24)18-9-14-20-21-22-23(14)11-5-3-4-10(17)8-11/h1-8H,9H2,(H2,18,19,24)
InChIKeyYDTYSKAIVYXJFQ-UHFFFAOYSA-N
XLogP2.78
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.75
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2,6-difluorophenyl)-3-[[1-(3-fluorophenyl)tetrazol-5-yl]methyl]urea
CID 18566026
1-(2-chloroethyl)-3-[[1-(3-fluorophenyl)tetrazol-5-yl]methyl]urea
CID 18566025
1-(2-fluorophenyl)-3-[(1-phenyltetrazol-5-yl)methyl]urea
CID 18565987
1-(3,4-dimethoxyphenyl)-3-[[1-(3-fluorophenyl)tetrazol-5-yl]methyl]urea
CID 18566017
4-chloro-N-[[1-(3-fluorophenyl)tetrazol-5-yl]methyl]benzenesulfonamide
CID 16809041
2-chloro-6-fluoro-N-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]benzamide
CID 18565796
N-[[1-(3-fluorophenyl)tetrazol-5-yl]methyl]-2-(trifluoromethyl)benzenesulfonamide
CID 16809052
1-(2-chlorophenyl)-2-[1-(3-fluorophenyl)tetrazol-5-yl]sulfanylethanone
CID 7562916
N-(3,4-dichlorophenyl)-4-[[1-(3-fluorophenyl)tetrazol-5-yl]methyl]piperazine-1-carboxamide
CID 29340359
1-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]-3-thiophen-2-ylurea
CID 16799339
N-(4-chlorophenyl)-2-[1-(3-fluorophenyl)tetrazol-5-yl]sulfanylpropanamide
CID 18776191
1-(3-chloro-2-methylphenyl)-3-[(3-fluorophenyl)methyl]urea
CID 47193368

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-3-[[1-(3-fluorophenyl)tetrazol-5-yl]methyl]urea?
The IUPAC name of 1-(2-chlorophenyl)-3-[[1-(3-fluorophenyl)tetrazol-5-yl]methyl]urea (CID 18566031) is 1-(2-chlorophenyl)-3-[[1-(3-fluorophenyl)tetrazol-5-yl]methyl]urea.
What is the SMILES notation for 1-(2-chlorophenyl)-3-[[1-(3-fluorophenyl)tetrazol-5-yl]methyl]urea?
The canonical SMILES for 1-(2-chlorophenyl)-3-[[1-(3-fluorophenyl)tetrazol-5-yl]methyl]urea is O=C(NCc1nnnn1-c1cccc(F)c1)Nc1ccccc1Cl.
What is the InChIKey of 1-(2-chlorophenyl)-3-[[1-(3-fluorophenyl)tetrazol-5-yl]methyl]urea?
The InChIKey is YDTYSKAIVYXJFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClFN6O/c16-12-6-1-2-7-13(12)19-15(24)18-9-14-20-21-22-23(14)11-5-3-4-10(17)8-11/h1-8H,9H2,(H2,18,19,24).
What are the key properties of 1-(2-chlorophenyl)-3-[[1-(3-fluorophenyl)tetrazol-5-yl]methyl]urea?
1-(2-chlorophenyl)-3-[[1-(3-fluorophenyl)tetrazol-5-yl]methyl]urea has a molecular weight of 346.75 g/mol, XLogP of 2.78, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-3-[[1-(3-fluorophenyl)tetrazol-5-yl]methyl]urea is sourced from PubChem (CID 18566031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).