1-(4-fluorophenyl)-3-[4-[3-(3-methylphenyl)-2-oxopropyl]-2-(trifluoromethyl)phenyl]urea

C24H20F4N2O2 — CID 148858620

IUPAC1-(4-fluorophenyl)-3-[4-[3-(3-methylphenyl)-2-oxopropyl]-2-(trifluoromethyl)phenyl]urea
SMILESCc1cccc(CC(=O)Cc2ccc(NC(=O)Nc3ccc(F)cc3)c(C(F)(F)F)c2)c1
InChIInChI=1S/C24H20F4N2O2/c1-15-3-2-4-16(11-15)12-20(31)13-17-5-10-22(21(14-17)24(26,27)28)30-23(32)29-19-8-6-18(25)7-9-19/h2-11,14H,12-13H2,1H3,(H2,29,30,32)
InChIKeyOYWKFIDGWYTZOS-UHFFFAOYSA-N
MW444.43 g/mol
LogP6.15
Rot. Bonds6

About 1-(4-fluorophenyl)-3-[4-[3-(3-methylphenyl)-2-oxopropyl]-2-(trifluoromethyl)phenyl]urea

1-(4-fluorophenyl)-3-[4-[3-(3-methylphenyl)-2-oxopropyl]-2-(trifluoromethyl)phenyl]urea (PubChem CID 148858620) has the molecular formula C24H20F4N2O2 and a molecular weight of 444.43 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-3-[4-[3-(3-methylphenyl)-2-oxopropyl]-2-(trifluoromethyl)phenyl]urea.

Molecular Properties

Compound Name1-(4-fluorophenyl)-3-[4-[3-(3-methylphenyl)-2-oxopropyl]-2-(trifluoromethyl)phenyl]urea
PubChem CID148858620
Molecular FormulaC24H20F4N2O2
Molecular Weight444.43 g/mol
Exact Mass444.15
IUPAC Name1-(4-fluorophenyl)-3-[4-[3-(3-methylphenyl)-2-oxopropyl]-2-(trifluoromethyl)phenyl]urea
SMILESCc1cccc(CC(=O)Cc2ccc(NC(=O)Nc3ccc(F)cc3)c(C(F)(F)F)c2)c1
InChIInChI=1S/C24H20F4N2O2/c1-15-3-2-4-16(11-15)12-20(31)13-17-5-10-22(21(14-17)24(26,27)28)30-23(32)29-19-8-6-18(25)7-9-19/h2-11,14H,12-13H2,1H3,(H2,29,30,32)
InChIKeyOYWKFIDGWYTZOS-UHFFFAOYSA-N
XLogP6.15
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.43
LogP ≤ 56.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,5-difluoro-N-[4-[3-(3-methylphenyl)-2-oxopropyl]-2-(trifluoromethyl)phenyl]benzamide
CID 161306971
N-[4-[3-(3-methylphenyl)-2-oxopropyl]-2-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 161210544
4-[[4-fluoro-2-(trifluoromethyl)phenyl]carbamoylamino]benzoic acid
CID 68919039
2-fluoro-N-[4-[3-(3-methylphenyl)-2-oxopropyl]-3-(trifluoromethyl)phenyl]benzamide
CID 153093321
2,2,2-trifluoro-N-[4-[[2-(3-methylphenyl)acetyl]amino]phenyl]acetamide
CID 108933173
N-[2-(4-fluorophenyl)ethyl]-2-(3-methylphenyl)acetamide
CID 6468714
1-[3-(trifluoromethyl)phenyl]-3-[2-(trifluoromethyl)-4-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]urea
CID 2305670
N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-2-(3-methylphenyl)acetamide
CID 112992570
N-[(3-methylphenyl)methyl]-N'-[2-(trifluoromethyl)phenyl]propanediamide
CID 108945642
1-(3-methylphenyl)-3-phenylpropan-2-one
CID 14882321
1-[4-(aminomethyl)-2-(trifluoromethyl)phenyl]-3-ethylurea
CID 61317348
1-(2-bromo-5-fluorophenyl)-3-(3-methylphenyl)propan-2-one
CID 62619910

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-3-[4-[3-(3-methylphenyl)-2-oxopropyl]-2-(trifluoromethyl)phenyl]urea?
The IUPAC name of 1-(4-fluorophenyl)-3-[4-[3-(3-methylphenyl)-2-oxopropyl]-2-(trifluoromethyl)phenyl]urea (CID 148858620) is 1-(4-fluorophenyl)-3-[4-[3-(3-methylphenyl)-2-oxopropyl]-2-(trifluoromethyl)phenyl]urea.
What is the SMILES notation for 1-(4-fluorophenyl)-3-[4-[3-(3-methylphenyl)-2-oxopropyl]-2-(trifluoromethyl)phenyl]urea?
The canonical SMILES for 1-(4-fluorophenyl)-3-[4-[3-(3-methylphenyl)-2-oxopropyl]-2-(trifluoromethyl)phenyl]urea is Cc1cccc(CC(=O)Cc2ccc(NC(=O)Nc3ccc(F)cc3)c(C(F)(F)F)c2)c1.
What is the InChIKey of 1-(4-fluorophenyl)-3-[4-[3-(3-methylphenyl)-2-oxopropyl]-2-(trifluoromethyl)phenyl]urea?
The InChIKey is OYWKFIDGWYTZOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20F4N2O2/c1-15-3-2-4-16(11-15)12-20(31)13-17-5-10-22(21(14-17)24(26,27)28)30-23(32)29-19-8-6-18(25)7-9-19/h2-11,14H,12-13H2,1H3,(H2,29,30,32).
What are the key properties of 1-(4-fluorophenyl)-3-[4-[3-(3-methylphenyl)-2-oxopropyl]-2-(trifluoromethyl)phenyl]urea?
1-(4-fluorophenyl)-3-[4-[3-(3-methylphenyl)-2-oxopropyl]-2-(trifluoromethyl)phenyl]urea has a molecular weight of 444.43 g/mol, XLogP of 6.15, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-3-[4-[3-(3-methylphenyl)-2-oxopropyl]-2-(trifluoromethyl)phenyl]urea is sourced from PubChem (CID 148858620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).