1-[1-(4-fluorophenyl)propan-2-yl]-3-[3-methoxy-4-(2-methyl-4-pyridinyl)phenyl]urea

C23H24FN3O2 — CID 71456493

IUPAC1-[1-(4-fluorophenyl)propan-2-yl]-3-[3-methoxy-4-(2-methyl-4-pyridinyl)phenyl]urea
SMILESCOc1cc(NC(=O)NC(C)Cc2ccc(F)cc2)ccc1-c1ccnc(C)c1
InChIInChI=1S/C23H24FN3O2/c1-15-13-18(10-11-25-15)21-9-8-20(14-22(21)29-3)27-23(28)26-16(2)12-17-4-6-19(24)7-5-17/h4-11,13-14,16H,12H2,1-3H3,(H2,26,27,28)
InChIKeyXSJAOZBTZLHJCA-UHFFFAOYSA-N
MW393.46 g/mol
LogP4.96
Rot. Bonds6

About 1-[1-(4-fluorophenyl)propan-2-yl]-3-[3-methoxy-4-(2-methyl-4-pyridinyl)phenyl]urea

1-[1-(4-fluorophenyl)propan-2-yl]-3-[3-methoxy-4-(2-methyl-4-pyridinyl)phenyl]urea (PubChem CID 71456493) has the molecular formula C23H24FN3O2 and a molecular weight of 393.46 g/mol. Its IUPAC name is 1-[1-(4-fluorophenyl)propan-2-yl]-3-[3-methoxy-4-(2-methyl-4-pyridinyl)phenyl]urea.

Molecular Properties

Compound Name1-[1-(4-fluorophenyl)propan-2-yl]-3-[3-methoxy-4-(2-methyl-4-pyridinyl)phenyl]urea
PubChem CID71456493
Molecular FormulaC23H24FN3O2
Molecular Weight393.46 g/mol
Exact Mass393.19
IUPAC Name1-[1-(4-fluorophenyl)propan-2-yl]-3-[3-methoxy-4-(2-methyl-4-pyridinyl)phenyl]urea
SMILESCOc1cc(NC(=O)NC(C)Cc2ccc(F)cc2)ccc1-c1ccnc(C)c1
InChIInChI=1S/C23H24FN3O2/c1-15-13-18(10-11-25-15)21-9-8-20(14-22(21)29-3)27-23(28)26-16(2)12-17-4-6-19(24)7-5-17/h4-11,13-14,16H,12H2,1-3H3,(H2,26,27,28)
InChIKeyXSJAOZBTZLHJCA-UHFFFAOYSA-N
XLogP4.96
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.46
LogP ≤ 54.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-fluorophenyl)propan-2-yl]-3-[3-methoxy-4-(2-methyl-4-pyridinyl)phenyl]urea?
The IUPAC name of 1-[1-(4-fluorophenyl)propan-2-yl]-3-[3-methoxy-4-(2-methyl-4-pyridinyl)phenyl]urea (CID 71456493) is 1-[1-(4-fluorophenyl)propan-2-yl]-3-[3-methoxy-4-(2-methyl-4-pyridinyl)phenyl]urea.
What is the SMILES notation for 1-[1-(4-fluorophenyl)propan-2-yl]-3-[3-methoxy-4-(2-methyl-4-pyridinyl)phenyl]urea?
The canonical SMILES for 1-[1-(4-fluorophenyl)propan-2-yl]-3-[3-methoxy-4-(2-methyl-4-pyridinyl)phenyl]urea is COc1cc(NC(=O)NC(C)Cc2ccc(F)cc2)ccc1-c1ccnc(C)c1.
What is the InChIKey of 1-[1-(4-fluorophenyl)propan-2-yl]-3-[3-methoxy-4-(2-methyl-4-pyridinyl)phenyl]urea?
The InChIKey is XSJAOZBTZLHJCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN3O2/c1-15-13-18(10-11-25-15)21-9-8-20(14-22(21)29-3)27-23(28)26-16(2)12-17-4-6-19(24)7-5-17/h4-11,13-14,16H,12H2,1-3H3,(H2,26,27,28).
What are the key properties of 1-[1-(4-fluorophenyl)propan-2-yl]-3-[3-methoxy-4-(2-methyl-4-pyridinyl)phenyl]urea?
1-[1-(4-fluorophenyl)propan-2-yl]-3-[3-methoxy-4-(2-methyl-4-pyridinyl)phenyl]urea has a molecular weight of 393.46 g/mol, XLogP of 4.96, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-fluorophenyl)propan-2-yl]-3-[3-methoxy-4-(2-methyl-4-pyridinyl)phenyl]urea is sourced from PubChem (CID 71456493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).