1-[2-[(1-cyclopentyl-2-methylpropyl)amino]-5-[2-(2H-tetrazol-5-yl)phenyl]phenyl]-3-(2-fluorophenyl)urea

C29H32FN7O — CID 121469234

About 1-[2-[(1-cyclopentyl-2-methylpropyl)amino]-5-[2-(2H-tetrazol-5-yl)phenyl]phenyl]-3-(2-fluorophenyl)urea

1-[2-[(1-cyclopentyl-2-methylpropyl)amino]-5-[2-(2H-tetrazol-5-yl)phenyl]phenyl]-3-(2-fluorophenyl)urea (PubChem CID 121469234) has the molecular formula C29H32FN7O and a molecular weight of 513.62 g/mol. Its IUPAC name is 1-[2-[(1-cyclopentyl-2-methylpropyl)amino]-5-[2-(2H-tetrazol-5-yl)phenyl]phenyl]-3-(2-fluorophenyl)urea.

Molecular Properties

• Compound Name: 1-[2-[(1-cyclopentyl-2-methylpropyl)amino]-5-[2-(2H-tetrazol-5-yl)phenyl]phenyl]-3-(2-fluorophenyl)urea
• PubChem CID: 121469234
• Molecular Formula: C29H32FN7O
• Molecular Weight: 513.62 g/mol
• Exact Mass: 513.27
• IUPAC Name: 1-[2-[(1-cyclopentyl-2-methylpropyl)amino]-5-[2-(2H-tetrazol-5-yl)phenyl]phenyl]-3-(2-fluorophenyl)urea
• SMILES: CC(C)C(Nc1ccc(-c2ccccc2-c2nn[nH]n2)cc1NC(=O)Nc1ccccc1F)C1CCCC1
• InChI: InChI=1S/C29H32FN7O/c1-18(2)27(19-9-3-4-10-19)31-25-16-15-20(21-11-5-6-12-22(21)28-34-36-37-35-28)17-26(25)33-29(38)32-24-14-8-7-13-23(24)30/h5-8,11-19,27,31H,3-4,9-10H2,1-2H3,(H2,32,33,38)(H,34,35,36,37)
• InChIKey: GQFPGPZSMUYVEM-UHFFFAOYSA-N
• XLogP: 6.94
• TPSA: 107.62 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	513.62
LogP ≤ 5	6.94
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(1-cyclopentyl-2-methylpropyl)amino]-5-[2-(2H-tetrazol-5-yl)phenyl]phenyl]-3-(2-fluorophenyl)urea?

The IUPAC name of 1-[2-[(1-cyclopentyl-2-methylpropyl)amino]-5-[2-(2H-tetrazol-5-yl)phenyl]phenyl]-3-(2-fluorophenyl)urea (CID 121469234) is 1-[2-[(1-cyclopentyl-2-methylpropyl)amino]-5-[2-(2H-tetrazol-5-yl)phenyl]phenyl]-3-(2-fluorophenyl)urea.

What is the SMILES notation for 1-[2-[(1-cyclopentyl-2-methylpropyl)amino]-5-[2-(2H-tetrazol-5-yl)phenyl]phenyl]-3-(2-fluorophenyl)urea?

The canonical SMILES for 1-[2-[(1-cyclopentyl-2-methylpropyl)amino]-5-[2-(2H-tetrazol-5-yl)phenyl]phenyl]-3-(2-fluorophenyl)urea is CC(C)C(Nc1ccc(-c2ccccc2-c2nn[nH]n2)cc1NC(=O)Nc1ccccc1F)C1CCCC1.

What is the InChIKey of 1-[2-[(1-cyclopentyl-2-methylpropyl)amino]-5-[2-(2H-tetrazol-5-yl)phenyl]phenyl]-3-(2-fluorophenyl)urea?

The InChIKey is GQFPGPZSMUYVEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32FN7O/c1-18(2)27(19-9-3-4-10-19)31-25-16-15-20(21-11-5-6-12-22(21)28-34-36-37-35-28)17-26(25)33-29(38)32-24-14-8-7-13-23(24)30/h5-8,11-19,27,31H,3-4,9-10H2,1-2H3,(H2,32,33,38)(H,34,35,36,37).

What are the key properties of 1-[2-[(1-cyclopentyl-2-methylpropyl)amino]-5-[2-(2H-tetrazol-5-yl)phenyl]phenyl]-3-(2-fluorophenyl)urea?

1-[2-[(1-cyclopentyl-2-methylpropyl)amino]-5-[2-(2H-tetrazol-5-yl)phenyl]phenyl]-3-(2-fluorophenyl)urea has a molecular weight of 513.62 g/mol, XLogP of 6.94, 8 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-[(1-cyclopentyl-2-methylpropyl)amino]-5-[2-(2H-tetrazol-5-yl)phenyl]phenyl]-3-(2-fluorophenyl)urea is sourced from PubChem (CID 121469234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).