[4-[2-[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]-2-hydroxyethyl]phenyl]urea

C22H20ClFN2O3 — CID 68790612

IUPAC[4-[2-[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]-2-hydroxyethyl]phenyl]urea
SMILESCOc1ccc(C(O)Cc2ccc(NC(N)=O)cc2)c(F)c1-c1cccc(Cl)c1
InChIInChI=1S/C22H20ClFN2O3/c1-29-19-10-9-17(21(24)20(19)14-3-2-4-15(23)12-14)18(27)11-13-5-7-16(8-6-13)26-22(25)28/h2-10,12,18,27H,11H2,1H3,(H3,25,26,28)
InChIKeyUEQRWYSIUGDZLT-UHFFFAOYSA-N
MW414.86 g/mol
LogP4.92
Rot. Bonds6

About [4-[2-[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]-2-hydroxyethyl]phenyl]urea

[4-[2-[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]-2-hydroxyethyl]phenyl]urea (PubChem CID 68790612) has the molecular formula C22H20ClFN2O3 and a molecular weight of 414.86 g/mol. Its IUPAC name is [4-[2-[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]-2-hydroxyethyl]phenyl]urea.

Molecular Properties

Compound Name[4-[2-[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]-2-hydroxyethyl]phenyl]urea
PubChem CID68790612
Molecular FormulaC22H20ClFN2O3
Molecular Weight414.86 g/mol
Exact Mass414.11
IUPAC Name[4-[2-[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]-2-hydroxyethyl]phenyl]urea
SMILESCOc1ccc(C(O)Cc2ccc(NC(N)=O)cc2)c(F)c1-c1cccc(Cl)c1
InChIInChI=1S/C22H20ClFN2O3/c1-29-19-10-9-17(21(24)20(19)14-3-2-4-15(23)12-14)18(27)11-13-5-7-16(8-6-13)26-22(25)28/h2-10,12,18,27H,11H2,1H3,(H3,25,26,28)
InChIKeyUEQRWYSIUGDZLT-UHFFFAOYSA-N
XLogP4.92
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.86
LogP ≤ 54.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze [4-[2-[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]-2-hydroxyethyl]phenyl]urea with MolForge

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Related Compounds

(4-aminophenyl)-[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methanone;[4-[3-(3-chlorophenyl)-2-fluoro-4-methoxybenzoyl]phenyl]urea
CID 159705006
[4-[[3-(3-chlorophenyl)-4-(difluoromethoxy)-2-fluorophenyl]methyl]phenyl]urea
CID 69003911
N-[4-[3-(3-chlorophenyl)-2-fluoro-4-methoxybenzoyl]phenyl]acetamide
CID 58019879
[4-[3-(3-chlorophenyl)-4-methoxy-N-methylanilino]phenyl]urea
CID 58019940
2-(4-chlorophenyl)-1-(2-fluoro-3-methoxyphenyl)ethanol
CID 82807893
[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]-deuterio-(4-nitrophenyl)methanol
CID 58020249
1-(4-chloro-2-methoxyphenyl)-2-(3-fluoro-4-methoxyphenyl)ethanol
CID 115782250
5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]-1H-pyridin-2-one
CID 70224222
[5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]-2-pyridinyl]methanamine;3-[5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]-2-pyridinyl]propanamide;methane
CID 160583131
2-(5-chloro-2-methoxyphenyl)-1-(2,3,4-trifluorophenyl)ethanol
CID 115788665
2-(5-chloro-2-methoxyphenyl)-1-(2-fluoro-3-methylphenyl)ethanol
CID 115788745
5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]pyridin-2-amine;ethane
CID 143810459

Frequently Asked Questions

What is the IUPAC name of [4-[2-[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]-2-hydroxyethyl]phenyl]urea?
The IUPAC name of [4-[2-[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]-2-hydroxyethyl]phenyl]urea (CID 68790612) is [4-[2-[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]-2-hydroxyethyl]phenyl]urea.
What is the SMILES notation for [4-[2-[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]-2-hydroxyethyl]phenyl]urea?
The canonical SMILES for [4-[2-[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]-2-hydroxyethyl]phenyl]urea is COc1ccc(C(O)Cc2ccc(NC(N)=O)cc2)c(F)c1-c1cccc(Cl)c1.
What is the InChIKey of [4-[2-[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]-2-hydroxyethyl]phenyl]urea?
The InChIKey is UEQRWYSIUGDZLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClFN2O3/c1-29-19-10-9-17(21(24)20(19)14-3-2-4-15(23)12-14)18(27)11-13-5-7-16(8-6-13)26-22(25)28/h2-10,12,18,27H,11H2,1H3,(H3,25,26,28).
What are the key properties of [4-[2-[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]-2-hydroxyethyl]phenyl]urea?
[4-[2-[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]-2-hydroxyethyl]phenyl]urea has a molecular weight of 414.86 g/mol, XLogP of 4.92, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]-2-hydroxyethyl]phenyl]urea is sourced from PubChem (CID 68790612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).