1-[4-fluoro-3-(5-methyltetrazol-1-yl)phenyl]-3-[1-(4-fluorophenyl)-2-hydroxyethyl]urea

C17H16F2N6O2 — CID 166208770

IUPAC1-[4-fluoro-3-(5-methyltetrazol-1-yl)phenyl]-3-[1-(4-fluorophenyl)-2-hydroxyethyl]urea
SMILESCc1nnnn1-c1cc(NC(=O)NC(CO)c2ccc(F)cc2)ccc1F
InChIInChI=1S/C17H16F2N6O2/c1-10-22-23-24-25(10)16-8-13(6-7-14(16)19)20-17(27)21-15(9-26)11-2-4-12(18)5-3-11/h2-8,15,26H,9H2,1H3,(H2,20,21,27)
InChIKeyKOFUHOCVSFZHHW-UHFFFAOYSA-N
MW374.35 g/mol
LogP2.10
Rot. Bonds5

About 1-[4-fluoro-3-(5-methyltetrazol-1-yl)phenyl]-3-[1-(4-fluorophenyl)-2-hydroxyethyl]urea

1-[4-fluoro-3-(5-methyltetrazol-1-yl)phenyl]-3-[1-(4-fluorophenyl)-2-hydroxyethyl]urea (PubChem CID 166208770) has the molecular formula C17H16F2N6O2 and a molecular weight of 374.35 g/mol. Its IUPAC name is 1-[4-fluoro-3-(5-methyltetrazol-1-yl)phenyl]-3-[1-(4-fluorophenyl)-2-hydroxyethyl]urea.

Molecular Properties

Compound Name1-[4-fluoro-3-(5-methyltetrazol-1-yl)phenyl]-3-[1-(4-fluorophenyl)-2-hydroxyethyl]urea
PubChem CID166208770
Molecular FormulaC17H16F2N6O2
Molecular Weight374.35 g/mol
Exact Mass374.13
IUPAC Name1-[4-fluoro-3-(5-methyltetrazol-1-yl)phenyl]-3-[1-(4-fluorophenyl)-2-hydroxyethyl]urea
SMILESCc1nnnn1-c1cc(NC(=O)NC(CO)c2ccc(F)cc2)ccc1F
InChIInChI=1S/C17H16F2N6O2/c1-10-22-23-24-25(10)16-8-13(6-7-14(16)19)20-17(27)21-15(9-26)11-2-4-12(18)5-3-11/h2-8,15,26H,9H2,1H3,(H2,20,21,27)
InChIKeyKOFUHOCVSFZHHW-UHFFFAOYSA-N
XLogP2.10
TPSA104.96 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.35
LogP ≤ 52.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 1-[4-fluoro-3-(5-methyltetrazol-1-yl)phenyl]-3-[1-(4-fluorophenyl)-2-hydroxyethyl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[4-fluoro-3-(5-methyltetrazol-1-yl)phenyl]-3-[1-(4-fluorophenyl)-2-hydroxyethyl]urea?
The IUPAC name of 1-[4-fluoro-3-(5-methyltetrazol-1-yl)phenyl]-3-[1-(4-fluorophenyl)-2-hydroxyethyl]urea (CID 166208770) is 1-[4-fluoro-3-(5-methyltetrazol-1-yl)phenyl]-3-[1-(4-fluorophenyl)-2-hydroxyethyl]urea.
What is the SMILES notation for 1-[4-fluoro-3-(5-methyltetrazol-1-yl)phenyl]-3-[1-(4-fluorophenyl)-2-hydroxyethyl]urea?
The canonical SMILES for 1-[4-fluoro-3-(5-methyltetrazol-1-yl)phenyl]-3-[1-(4-fluorophenyl)-2-hydroxyethyl]urea is Cc1nnnn1-c1cc(NC(=O)NC(CO)c2ccc(F)cc2)ccc1F.
What is the InChIKey of 1-[4-fluoro-3-(5-methyltetrazol-1-yl)phenyl]-3-[1-(4-fluorophenyl)-2-hydroxyethyl]urea?
The InChIKey is KOFUHOCVSFZHHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F2N6O2/c1-10-22-23-24-25(10)16-8-13(6-7-14(16)19)20-17(27)21-15(9-26)11-2-4-12(18)5-3-11/h2-8,15,26H,9H2,1H3,(H2,20,21,27).
What are the key properties of 1-[4-fluoro-3-(5-methyltetrazol-1-yl)phenyl]-3-[1-(4-fluorophenyl)-2-hydroxyethyl]urea?
1-[4-fluoro-3-(5-methyltetrazol-1-yl)phenyl]-3-[1-(4-fluorophenyl)-2-hydroxyethyl]urea has a molecular weight of 374.35 g/mol, XLogP of 2.10, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-fluoro-3-(5-methyltetrazol-1-yl)phenyl]-3-[1-(4-fluorophenyl)-2-hydroxyethyl]urea is sourced from PubChem (CID 166208770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).