1-[1-(4-fluorophenyl)cyclopentyl]-3-[4-methyl-3-(tetrazol-1-yl)phenyl]urea

C20H21FN6O — CID 56519168

IUPAC1-[1-(4-fluorophenyl)cyclopentyl]-3-[4-methyl-3-(tetrazol-1-yl)phenyl]urea
SMILESCc1ccc(NC(=O)NC2(c3ccc(F)cc3)CCCC2)cc1-n1cnnn1
InChIInChI=1S/C20H21FN6O/c1-14-4-9-17(12-18(14)27-13-22-25-26-27)23-19(28)24-20(10-2-3-11-20)15-5-7-16(21)8-6-15/h4-9,12-13H,2-3,10-11H2,1H3,(H2,23,24,28)
InChIKeyIWRCWMZXNLJZLJ-UHFFFAOYSA-N
MW380.43 g/mol
LogP3.70
Rot. Bonds4

About 1-[1-(4-fluorophenyl)cyclopentyl]-3-[4-methyl-3-(tetrazol-1-yl)phenyl]urea

1-[1-(4-fluorophenyl)cyclopentyl]-3-[4-methyl-3-(tetrazol-1-yl)phenyl]urea (PubChem CID 56519168) has the molecular formula C20H21FN6O and a molecular weight of 380.43 g/mol. Its IUPAC name is 1-[1-(4-fluorophenyl)cyclopentyl]-3-[4-methyl-3-(tetrazol-1-yl)phenyl]urea.

Molecular Properties

Compound Name1-[1-(4-fluorophenyl)cyclopentyl]-3-[4-methyl-3-(tetrazol-1-yl)phenyl]urea
PubChem CID56519168
Molecular FormulaC20H21FN6O
Molecular Weight380.43 g/mol
Exact Mass380.18
IUPAC Name1-[1-(4-fluorophenyl)cyclopentyl]-3-[4-methyl-3-(tetrazol-1-yl)phenyl]urea
SMILESCc1ccc(NC(=O)NC2(c3ccc(F)cc3)CCCC2)cc1-n1cnnn1
InChIInChI=1S/C20H21FN6O/c1-14-4-9-17(12-18(14)27-13-22-25-26-27)23-19(28)24-20(10-2-3-11-20)15-5-7-16(21)8-6-15/h4-9,12-13H,2-3,10-11H2,1H3,(H2,23,24,28)
InChIKeyIWRCWMZXNLJZLJ-UHFFFAOYSA-N
XLogP3.70
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.43
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-fluorophenyl)cyclopentyl]-3-[4-methyl-3-(tetrazol-1-yl)phenyl]urea?
The IUPAC name of 1-[1-(4-fluorophenyl)cyclopentyl]-3-[4-methyl-3-(tetrazol-1-yl)phenyl]urea (CID 56519168) is 1-[1-(4-fluorophenyl)cyclopentyl]-3-[4-methyl-3-(tetrazol-1-yl)phenyl]urea.
What is the SMILES notation for 1-[1-(4-fluorophenyl)cyclopentyl]-3-[4-methyl-3-(tetrazol-1-yl)phenyl]urea?
The canonical SMILES for 1-[1-(4-fluorophenyl)cyclopentyl]-3-[4-methyl-3-(tetrazol-1-yl)phenyl]urea is Cc1ccc(NC(=O)NC2(c3ccc(F)cc3)CCCC2)cc1-n1cnnn1.
What is the InChIKey of 1-[1-(4-fluorophenyl)cyclopentyl]-3-[4-methyl-3-(tetrazol-1-yl)phenyl]urea?
The InChIKey is IWRCWMZXNLJZLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN6O/c1-14-4-9-17(12-18(14)27-13-22-25-26-27)23-19(28)24-20(10-2-3-11-20)15-5-7-16(21)8-6-15/h4-9,12-13H,2-3,10-11H2,1H3,(H2,23,24,28).
What are the key properties of 1-[1-(4-fluorophenyl)cyclopentyl]-3-[4-methyl-3-(tetrazol-1-yl)phenyl]urea?
1-[1-(4-fluorophenyl)cyclopentyl]-3-[4-methyl-3-(tetrazol-1-yl)phenyl]urea has a molecular weight of 380.43 g/mol, XLogP of 3.70, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-fluorophenyl)cyclopentyl]-3-[4-methyl-3-(tetrazol-1-yl)phenyl]urea is sourced from PubChem (CID 56519168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).