1-[1,3-bis(4-fluorophenyl)propan-2-yl]-3-(2,4-dimethoxyphenyl)urea

C24H24F2N2O3 — CID 46286169

IUPAC1-[1,3-bis(4-fluorophenyl)propan-2-yl]-3-(2,4-dimethoxyphenyl)urea
SMILESCOc1ccc(NC(=O)NC(Cc2ccc(F)cc2)Cc2ccc(F)cc2)c(OC)c1
InChIInChI=1S/C24H24F2N2O3/c1-30-21-11-12-22(23(15-21)31-2)28-24(29)27-20(13-16-3-7-18(25)8-4-16)14-17-5-9-19(26)10-6-17/h3-12,15,20H,13-14H2,1-2H3,(H2,27,28,29)
InChIKeyIPZNDJUYCVXCQP-UHFFFAOYSA-N
MW426.46 g/mol
LogP4.96
Rot. Bonds8

About 1-[1,3-bis(4-fluorophenyl)propan-2-yl]-3-(2,4-dimethoxyphenyl)urea

1-[1,3-bis(4-fluorophenyl)propan-2-yl]-3-(2,4-dimethoxyphenyl)urea (PubChem CID 46286169) has the molecular formula C24H24F2N2O3 and a molecular weight of 426.46 g/mol. Its IUPAC name is 1-[1,3-bis(4-fluorophenyl)propan-2-yl]-3-(2,4-dimethoxyphenyl)urea.

Molecular Properties

Compound Name1-[1,3-bis(4-fluorophenyl)propan-2-yl]-3-(2,4-dimethoxyphenyl)urea
PubChem CID46286169
Molecular FormulaC24H24F2N2O3
Molecular Weight426.46 g/mol
Exact Mass426.18
IUPAC Name1-[1,3-bis(4-fluorophenyl)propan-2-yl]-3-(2,4-dimethoxyphenyl)urea
SMILESCOc1ccc(NC(=O)NC(Cc2ccc(F)cc2)Cc2ccc(F)cc2)c(OC)c1
InChIInChI=1S/C24H24F2N2O3/c1-30-21-11-12-22(23(15-21)31-2)28-24(29)27-20(13-16-3-7-18(25)8-4-16)14-17-5-9-19(26)10-6-17/h3-12,15,20H,13-14H2,1-2H3,(H2,27,28,29)
InChIKeyIPZNDJUYCVXCQP-UHFFFAOYSA-N
XLogP4.96
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.46
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-[1,3-bis(4-fluorophenyl)propan-2-yl]-3-(2,4-dimethoxyphenyl)urea?
The IUPAC name of 1-[1,3-bis(4-fluorophenyl)propan-2-yl]-3-(2,4-dimethoxyphenyl)urea (CID 46286169) is 1-[1,3-bis(4-fluorophenyl)propan-2-yl]-3-(2,4-dimethoxyphenyl)urea.
What is the SMILES notation for 1-[1,3-bis(4-fluorophenyl)propan-2-yl]-3-(2,4-dimethoxyphenyl)urea?
The canonical SMILES for 1-[1,3-bis(4-fluorophenyl)propan-2-yl]-3-(2,4-dimethoxyphenyl)urea is COc1ccc(NC(=O)NC(Cc2ccc(F)cc2)Cc2ccc(F)cc2)c(OC)c1.
What is the InChIKey of 1-[1,3-bis(4-fluorophenyl)propan-2-yl]-3-(2,4-dimethoxyphenyl)urea?
The InChIKey is IPZNDJUYCVXCQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24F2N2O3/c1-30-21-11-12-22(23(15-21)31-2)28-24(29)27-20(13-16-3-7-18(25)8-4-16)14-17-5-9-19(26)10-6-17/h3-12,15,20H,13-14H2,1-2H3,(H2,27,28,29).
What are the key properties of 1-[1,3-bis(4-fluorophenyl)propan-2-yl]-3-(2,4-dimethoxyphenyl)urea?
1-[1,3-bis(4-fluorophenyl)propan-2-yl]-3-(2,4-dimethoxyphenyl)urea has a molecular weight of 426.46 g/mol, XLogP of 4.96, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1,3-bis(4-fluorophenyl)propan-2-yl]-3-(2,4-dimethoxyphenyl)urea is sourced from PubChem (CID 46286169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).