1-(3,4-dichlorophenyl)-3-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]urea

C15H11Cl2FN6O — CID 16799331

IUPAC1-(3,4-dichlorophenyl)-3-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]urea
SMILESO=C(NCc1nnnn1-c1ccc(F)cc1)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H11Cl2FN6O/c16-12-6-3-10(7-13(12)17)20-15(25)19-8-14-21-22-23-24(14)11-4-1-9(18)2-5-11/h1-7H,8H2,(H2,19,20,25)
InChIKeyDPILDHIJZFGIKD-UHFFFAOYSA-N
MW381.20 g/mol
LogP3.43
Rot. Bonds4

About 1-(3,4-dichlorophenyl)-3-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]urea

1-(3,4-dichlorophenyl)-3-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]urea (PubChem CID 16799331) has the molecular formula C15H11Cl2FN6O and a molecular weight of 381.20 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)-3-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]urea.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)-3-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]urea
PubChem CID16799331
Molecular FormulaC15H11Cl2FN6O
Molecular Weight381.20 g/mol
Exact Mass380.04
IUPAC Name1-(3,4-dichlorophenyl)-3-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]urea
SMILESO=C(NCc1nnnn1-c1ccc(F)cc1)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H11Cl2FN6O/c16-12-6-3-10(7-13(12)17)20-15(25)19-8-14-21-22-23-24(14)11-4-1-9(18)2-5-11/h1-7H,8H2,(H2,19,20,25)
InChIKeyDPILDHIJZFGIKD-UHFFFAOYSA-N
XLogP3.43
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.20
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorophenyl)-3-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]urea?
The IUPAC name of 1-(3,4-dichlorophenyl)-3-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]urea (CID 16799331) is 1-(3,4-dichlorophenyl)-3-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]urea.
What is the SMILES notation for 1-(3,4-dichlorophenyl)-3-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]urea?
The canonical SMILES for 1-(3,4-dichlorophenyl)-3-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]urea is O=C(NCc1nnnn1-c1ccc(F)cc1)Nc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 1-(3,4-dichlorophenyl)-3-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]urea?
The InChIKey is DPILDHIJZFGIKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Cl2FN6O/c16-12-6-3-10(7-13(12)17)20-15(25)19-8-14-21-22-23-24(14)11-4-1-9(18)2-5-11/h1-7H,8H2,(H2,19,20,25).
What are the key properties of 1-(3,4-dichlorophenyl)-3-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]urea?
1-(3,4-dichlorophenyl)-3-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]urea has a molecular weight of 381.20 g/mol, XLogP of 3.43, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dichlorophenyl)-3-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]urea is sourced from PubChem (CID 16799331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).