1-(4-fluorophenyl)-3-[4-[(3-phenyl-4-pyridinyl)oxy]phenyl]urea

C24H18FN3O2 — CID 22936728

IUPAC1-(4-fluorophenyl)-3-[4-[(3-phenyl-4-pyridinyl)oxy]phenyl]urea
SMILESO=C(Nc1ccc(F)cc1)Nc1ccc(Oc2ccncc2-c2ccccc2)cc1
InChIInChI=1S/C24H18FN3O2/c25-18-6-8-19(9-7-18)27-24(29)28-20-10-12-21(13-11-20)30-23-14-15-26-16-22(23)17-4-2-1-3-5-17/h1-16H,(H2,27,28,29)
InChIKeyYWBRABVTZXAHFI-UHFFFAOYSA-N
MW399.43 g/mol
LogP6.32
Rot. Bonds5

About 1-(4-fluorophenyl)-3-[4-[(3-phenyl-4-pyridinyl)oxy]phenyl]urea

1-(4-fluorophenyl)-3-[4-[(3-phenyl-4-pyridinyl)oxy]phenyl]urea (PubChem CID 22936728) has the molecular formula C24H18FN3O2 and a molecular weight of 399.43 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-3-[4-[(3-phenyl-4-pyridinyl)oxy]phenyl]urea.

Molecular Properties

Compound Name1-(4-fluorophenyl)-3-[4-[(3-phenyl-4-pyridinyl)oxy]phenyl]urea
PubChem CID22936728
Molecular FormulaC24H18FN3O2
Molecular Weight399.43 g/mol
Exact Mass399.14
IUPAC Name1-(4-fluorophenyl)-3-[4-[(3-phenyl-4-pyridinyl)oxy]phenyl]urea
SMILESO=C(Nc1ccc(F)cc1)Nc1ccc(Oc2ccncc2-c2ccccc2)cc1
InChIInChI=1S/C24H18FN3O2/c25-18-6-8-19(9-7-18)27-24(29)28-20-10-12-21(13-11-20)30-23-14-15-26-16-22(23)17-4-2-1-3-5-17/h1-16H,(H2,27,28,29)
InChIKeyYWBRABVTZXAHFI-UHFFFAOYSA-N
XLogP6.32
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.43
LogP ≤ 56.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[4-(4-phenoxyphenoxy)-3-pyridinyl]phenyl]prop-2-enamide
CID 89266732
1-(4-fluorophenyl)-3-(2-phenoxyphenyl)urea
CID 971524
(E)-N-[3-[4-(4-phenoxyphenoxy)-3-pyridinyl]phenyl]but-2-enamide
CID 71092778
4-(4-fluorophenoxy)pyridine-3-carboxylic acid
CID 81229679
3-[3-[(4-fluorophenyl)carbamoylamino]-4-phenoxyphenyl]benzoic acid
CID 121332733
1-(4-fluorophenyl)-3-[4-[(2-phenyl-4-pyridinyl)oxy]phenyl]urea;4-[(2-phenyl-4-pyridinyl)oxy]aniline
CID 158881866
N'-(4-fluorophenyl)-N-(4-pyridin-4-yloxyphenyl)oxamide
CID 11439538
3,4-bis(4-fluorophenyl)-N-(4-phenoxyphenyl)pyrazole-1-carboxamide
CID 57265619
1-(3-fluorophenyl)-3-[4-[2-(1H-pyrazolo[3,4-d]pyrimidin-4-yl)phenoxy]phenyl]urea
CID 73330590
N-[[3-[4-(4-phenoxyphenoxy)-3-pyridinyl]phenyl]methyl]acetamide
CID 129142524
2-(4-fluorophenyl)-N-[[3-fluoro-4-[(3-pyridin-2-yl-4-pyridinyl)oxy]phenyl]carbamoyl]acetamide
CID 70791054
1-(4-fluorophenyl)-3-[4-[2-(hydroxymethyl)furo[2,3-b]pyridin-4-yl]oxyphenyl]urea
CID 58930957

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-3-[4-[(3-phenyl-4-pyridinyl)oxy]phenyl]urea?
The IUPAC name of 1-(4-fluorophenyl)-3-[4-[(3-phenyl-4-pyridinyl)oxy]phenyl]urea (CID 22936728) is 1-(4-fluorophenyl)-3-[4-[(3-phenyl-4-pyridinyl)oxy]phenyl]urea.
What is the SMILES notation for 1-(4-fluorophenyl)-3-[4-[(3-phenyl-4-pyridinyl)oxy]phenyl]urea?
The canonical SMILES for 1-(4-fluorophenyl)-3-[4-[(3-phenyl-4-pyridinyl)oxy]phenyl]urea is O=C(Nc1ccc(F)cc1)Nc1ccc(Oc2ccncc2-c2ccccc2)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-3-[4-[(3-phenyl-4-pyridinyl)oxy]phenyl]urea?
The InChIKey is YWBRABVTZXAHFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18FN3O2/c25-18-6-8-19(9-7-18)27-24(29)28-20-10-12-21(13-11-20)30-23-14-15-26-16-22(23)17-4-2-1-3-5-17/h1-16H,(H2,27,28,29).
What are the key properties of 1-(4-fluorophenyl)-3-[4-[(3-phenyl-4-pyridinyl)oxy]phenyl]urea?
1-(4-fluorophenyl)-3-[4-[(3-phenyl-4-pyridinyl)oxy]phenyl]urea has a molecular weight of 399.43 g/mol, XLogP of 6.32, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-3-[4-[(3-phenyl-4-pyridinyl)oxy]phenyl]urea is sourced from PubChem (CID 22936728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).