[4-[[3-(3-acetylphenyl)-2-fluoro-4-methoxyphenyl]methyl]-2-fluorophenyl]methylurea

C24H22F2N2O3 — CID 70229104

IUPAC[4-[[3-(3-acetylphenyl)-2-fluoro-4-methoxyphenyl]methyl]-2-fluorophenyl]methylurea
SMILESCOc1ccc(Cc2ccc(CNC(N)=O)c(F)c2)c(F)c1-c1cccc(C(C)=O)c1
InChIInChI=1S/C24H22F2N2O3/c1-14(29)16-4-3-5-17(12-16)22-21(31-2)9-8-18(23(22)26)10-15-6-7-19(20(25)11-15)13-28-24(27)30/h3-9,11-12H,10,13H2,1-2H3,(H3,27,28,30)
InChIKeyPLNFJAFOZDNYPU-UHFFFAOYSA-N
MW424.45 g/mol
LogP4.60
Rot. Bonds7

About [4-[[3-(3-acetylphenyl)-2-fluoro-4-methoxyphenyl]methyl]-2-fluorophenyl]methylurea

[4-[[3-(3-acetylphenyl)-2-fluoro-4-methoxyphenyl]methyl]-2-fluorophenyl]methylurea (PubChem CID 70229104) has the molecular formula C24H22F2N2O3 and a molecular weight of 424.45 g/mol. Its IUPAC name is [4-[[3-(3-acetylphenyl)-2-fluoro-4-methoxyphenyl]methyl]-2-fluorophenyl]methylurea.

Molecular Properties

Compound Name[4-[[3-(3-acetylphenyl)-2-fluoro-4-methoxyphenyl]methyl]-2-fluorophenyl]methylurea
PubChem CID70229104
Molecular FormulaC24H22F2N2O3
Molecular Weight424.45 g/mol
Exact Mass424.16
IUPAC Name[4-[[3-(3-acetylphenyl)-2-fluoro-4-methoxyphenyl]methyl]-2-fluorophenyl]methylurea
SMILESCOc1ccc(Cc2ccc(CNC(N)=O)c(F)c2)c(F)c1-c1cccc(C(C)=O)c1
InChIInChI=1S/C24H22F2N2O3/c1-14(29)16-4-3-5-17(12-16)22-21(31-2)9-8-18(23(22)26)10-15-6-7-19(20(25)11-15)13-28-24(27)30/h3-9,11-12H,10,13H2,1-2H3,(H3,27,28,30)
InChIKeyPLNFJAFOZDNYPU-UHFFFAOYSA-N
XLogP4.60
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.45
LogP ≤ 54.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze [4-[[3-(3-acetylphenyl)-2-fluoro-4-methoxyphenyl]methyl]-2-fluorophenyl]methylurea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[[3-(3-acetylphenyl)-2-fluoro-4-methoxyphenyl]methyl]benzenesulfinamide
CID 69002784
4-[[3-(3-acetylphenyl)-2-fluoro-4-methoxyphenyl]methyl]benzoic acid;methyl 4-[[3-(3-acetylphenyl)-2-fluoro-4-methoxyphenyl]methyl]benzoate
CID 158092409
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
[3-(3-acetylphenyl)-2-fluoro-4-methoxyphenyl]methyl methyl carbonate;1-[5-[[3-(3-acetylphenyl)-2-fluoro-4-methoxyphenyl]methyl]-2-pyridinyl]-3-(2-chloroethyl)urea;1-[3-[3-[(6-amino-3-pyridinyl)methyl]-2-fluoro-6-methoxyphenyl]phenyl]ethanone;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine
CID 159743729
[4-[[3-(3-chlorophenyl)-4-(difluoromethoxy)-2-fluorophenyl]methyl]phenyl]urea
CID 69003911
1-[3-(2,6-difluoro-4-methoxyphenyl)phenyl]ethanone
CID 54911823
5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]pyridin-2-amine;ethane
CID 143810459
5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]pyrimidin-2-amine
CID 58020028
1-[3-[2-[(3,4-dimethoxyphenyl)methyl]pyrimidin-4-yl]phenyl]ethanone
CID 147570316
3-[5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]-1-oxidopyridin-1-ium-2-yl]-N-ethylpropanamide
CID 140592593
[4-[2-[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]-2-hydroxyethyl]phenyl]urea
CID 68790612

Frequently Asked Questions

What is the IUPAC name of [4-[[3-(3-acetylphenyl)-2-fluoro-4-methoxyphenyl]methyl]-2-fluorophenyl]methylurea?
The IUPAC name of [4-[[3-(3-acetylphenyl)-2-fluoro-4-methoxyphenyl]methyl]-2-fluorophenyl]methylurea (CID 70229104) is [4-[[3-(3-acetylphenyl)-2-fluoro-4-methoxyphenyl]methyl]-2-fluorophenyl]methylurea.
What is the SMILES notation for [4-[[3-(3-acetylphenyl)-2-fluoro-4-methoxyphenyl]methyl]-2-fluorophenyl]methylurea?
The canonical SMILES for [4-[[3-(3-acetylphenyl)-2-fluoro-4-methoxyphenyl]methyl]-2-fluorophenyl]methylurea is COc1ccc(Cc2ccc(CNC(N)=O)c(F)c2)c(F)c1-c1cccc(C(C)=O)c1.
What is the InChIKey of [4-[[3-(3-acetylphenyl)-2-fluoro-4-methoxyphenyl]methyl]-2-fluorophenyl]methylurea?
The InChIKey is PLNFJAFOZDNYPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22F2N2O3/c1-14(29)16-4-3-5-17(12-16)22-21(31-2)9-8-18(23(22)26)10-15-6-7-19(20(25)11-15)13-28-24(27)30/h3-9,11-12H,10,13H2,1-2H3,(H3,27,28,30).
What are the key properties of [4-[[3-(3-acetylphenyl)-2-fluoro-4-methoxyphenyl]methyl]-2-fluorophenyl]methylurea?
[4-[[3-(3-acetylphenyl)-2-fluoro-4-methoxyphenyl]methyl]-2-fluorophenyl]methylurea has a molecular weight of 424.45 g/mol, XLogP of 4.60, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[3-(3-acetylphenyl)-2-fluoro-4-methoxyphenyl]methyl]-2-fluorophenyl]methylurea is sourced from PubChem (CID 70229104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).