1-(2-tert-butylphenyl)-3-[4-fluoro-3-(pyridin-3-yloxymethyl)phenyl]urea

C23H24FN3O2 — CID 58614969

IUPAC1-(2-tert-butylphenyl)-3-[4-fluoro-3-(pyridin-3-yloxymethyl)phenyl]urea
SMILESCC(C)(C)c1ccccc1NC(=O)Nc1ccc(F)c(COc2cccnc2)c1
InChIInChI=1S/C23H24FN3O2/c1-23(2,3)19-8-4-5-9-21(19)27-22(28)26-17-10-11-20(24)16(13-17)15-29-18-7-6-12-25-14-18/h4-14H,15H2,1-3H3,(H2,26,27,28)
InChIKeyCRFQTZNKMJVMAN-UHFFFAOYSA-N
MW393.46 g/mol
LogP5.74
Rot. Bonds5

About 1-(2-tert-butylphenyl)-3-[4-fluoro-3-(pyridin-3-yloxymethyl)phenyl]urea

1-(2-tert-butylphenyl)-3-[4-fluoro-3-(pyridin-3-yloxymethyl)phenyl]urea (PubChem CID 58614969) has the molecular formula C23H24FN3O2 and a molecular weight of 393.46 g/mol. Its IUPAC name is 1-(2-tert-butylphenyl)-3-[4-fluoro-3-(pyridin-3-yloxymethyl)phenyl]urea.

Molecular Properties

Compound Name1-(2-tert-butylphenyl)-3-[4-fluoro-3-(pyridin-3-yloxymethyl)phenyl]urea
PubChem CID58614969
Molecular FormulaC23H24FN3O2
Molecular Weight393.46 g/mol
Exact Mass393.19
IUPAC Name1-(2-tert-butylphenyl)-3-[4-fluoro-3-(pyridin-3-yloxymethyl)phenyl]urea
SMILESCC(C)(C)c1ccccc1NC(=O)Nc1ccc(F)c(COc2cccnc2)c1
InChIInChI=1S/C23H24FN3O2/c1-23(2,3)19-8-4-5-9-21(19)27-22(28)26-17-10-11-20(24)16(13-17)15-29-18-7-6-12-25-14-18/h4-14H,15H2,1-3H3,(H2,26,27,28)
InChIKeyCRFQTZNKMJVMAN-UHFFFAOYSA-N
XLogP5.74
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.46
LogP ≤ 55.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-fluoro-3-(pyridin-3-yloxymethyl)benzoic acid
CID 63074970
1-(5-tert-butyl-1H-pyrazol-3-yl)-3-[4-chloro-3-(pyridin-3-yloxymethyl)phenyl]urea
CID 5326866
1-[2-(2-tert-butylphenoxy)-3-pyridinyl]-3-(3-phenylmethoxyphenyl)urea
CID 68533651
1-(1-benzyl-3-tert-butylpyrazol-5-yl)-3-[4-fluoro-3-(pyrazin-2-yloxymethyl)phenyl]urea
CID 58614972
1-(3,4-difluorophenyl)-3-pyridin-3-ylurea
CID 24535904
N-(2-tert-butylphenyl)-N'-(3,4-difluorophenyl)-2,2-dimethylpropanediamide
CID 108968655
N-(2-tert-butylphenyl)-2-(3,4-difluoroanilino)pyrimidine-5-carboxamide
CID 109268225
3-tert-butyl-N-[4-chloro-3-(pyridin-3-yloxymethyl)phenyl]benzamide
CID 58615039
1-(2-tert-butylphenyl)-3-(3-chlorophenyl)urea
CID 3408863
1-(2-tert-butylphenyl)-3-(4-methylphenyl)urea
CID 841120
N-(2-tert-butylphenyl)-5-[(2-fluorophenyl)methylamino]pyridine-3-carboxamide
CID 109233471
2-(2-tert-butylphenoxy)-N-[3-(pyridin-3-ylmethoxy)phenyl]acetamide
CID 55805039

Frequently Asked Questions

What is the IUPAC name of 1-(2-tert-butylphenyl)-3-[4-fluoro-3-(pyridin-3-yloxymethyl)phenyl]urea?
The IUPAC name of 1-(2-tert-butylphenyl)-3-[4-fluoro-3-(pyridin-3-yloxymethyl)phenyl]urea (CID 58614969) is 1-(2-tert-butylphenyl)-3-[4-fluoro-3-(pyridin-3-yloxymethyl)phenyl]urea.
What is the SMILES notation for 1-(2-tert-butylphenyl)-3-[4-fluoro-3-(pyridin-3-yloxymethyl)phenyl]urea?
The canonical SMILES for 1-(2-tert-butylphenyl)-3-[4-fluoro-3-(pyridin-3-yloxymethyl)phenyl]urea is CC(C)(C)c1ccccc1NC(=O)Nc1ccc(F)c(COc2cccnc2)c1.
What is the InChIKey of 1-(2-tert-butylphenyl)-3-[4-fluoro-3-(pyridin-3-yloxymethyl)phenyl]urea?
The InChIKey is CRFQTZNKMJVMAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN3O2/c1-23(2,3)19-8-4-5-9-21(19)27-22(28)26-17-10-11-20(24)16(13-17)15-29-18-7-6-12-25-14-18/h4-14H,15H2,1-3H3,(H2,26,27,28).
What are the key properties of 1-(2-tert-butylphenyl)-3-[4-fluoro-3-(pyridin-3-yloxymethyl)phenyl]urea?
1-(2-tert-butylphenyl)-3-[4-fluoro-3-(pyridin-3-yloxymethyl)phenyl]urea has a molecular weight of 393.46 g/mol, XLogP of 5.74, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-tert-butylphenyl)-3-[4-fluoro-3-(pyridin-3-yloxymethyl)phenyl]urea is sourced from PubChem (CID 58614969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).