3-(cyclohexylmethyl)-1-(3-fluorophenyl)-1-phenylurea;2-methoxyacetic acid

C23H29FN2O4 — CID 143865610

IUPAC3-(cyclohexylmethyl)-1-(3-fluorophenyl)-1-phenylurea;2-methoxyacetic acid
SMILESCOCC(=O)O.O=C(NCC1CCCCC1)N(c1ccccc1)c1cccc(F)c1
InChIInChI=1S/C20H23FN2O.C3H6O3/c21-17-10-7-13-19(14-17)23(18-11-5-2-6-12-18)20(24)22-15-16-8-3-1-4-9-16;1-6-2-3(4)5/h2,5-7,10-14,16H,1,3-4,8-9,15H2,(H,22,24);2H2,1H3,(H,4,5)
InChIKeyXWMCUPBVRPHBGY-UHFFFAOYSA-N
MW416.49 g/mol
LogP4.97
Rot. Bonds6

About 3-(cyclohexylmethyl)-1-(3-fluorophenyl)-1-phenylurea;2-methoxyacetic acid

3-(cyclohexylmethyl)-1-(3-fluorophenyl)-1-phenylurea;2-methoxyacetic acid (PubChem CID 143865610) has the molecular formula C23H29FN2O4 and a molecular weight of 416.49 g/mol. Its IUPAC name is 3-(cyclohexylmethyl)-1-(3-fluorophenyl)-1-phenylurea;2-methoxyacetic acid.

Molecular Properties

Compound Name3-(cyclohexylmethyl)-1-(3-fluorophenyl)-1-phenylurea;2-methoxyacetic acid
PubChem CID143865610
Molecular FormulaC23H29FN2O4
Molecular Weight416.49 g/mol
Exact Mass416.21
IUPAC Name3-(cyclohexylmethyl)-1-(3-fluorophenyl)-1-phenylurea;2-methoxyacetic acid
SMILESCOCC(=O)O.O=C(NCC1CCCCC1)N(c1ccccc1)c1cccc(F)c1
InChIInChI=1S/C20H23FN2O.C3H6O3/c21-17-10-7-13-19(14-17)23(18-11-5-2-6-12-18)20(24)22-15-16-8-3-1-4-9-16;1-6-2-3(4)5/h2,5-7,10-14,16H,1,3-4,8-9,15H2,(H,22,24);2H2,1H3,(H,4,5)
InChIKeyXWMCUPBVRPHBGY-UHFFFAOYSA-N
XLogP4.97
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.49
LogP ≤ 54.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

cyclohexylmethyl N-(3-fluoro-4-methylphenyl)-N-(3-fluorophenyl)carbamate;2-methoxyacetic acid
CID 143865582
cyclohexylmethyl N-phenyl-N-pyridin-2-ylcarbamate;2-methoxyacetic acid
CID 143865612
sodium;2-[[4-[[(3-fluorophenyl)-phenylcarbamoyl]oxymethyl]cyclohexyl]methoxy]acetic acid;hydride
CID 173215030
2-[[4-[[[(4-chloro-2-fluorophenyl)-phenylcarbamoyl]amino]methyl]cyclohexyl]methoxy]acetic acid
CID 151116248
[2-(cyclohexylmethylamino)-2-oxoethyl] 3-fluorobenzoate
CID 8612564
N-[1-(cyclohexylmethoxy)ethenyl]-3-fluoro-N-(4-methoxyphenyl)aniline
CID 166763856
1,1-dibenzyl-3-(cyclohexylmethyl)urea
CID 108902903
2-[cyclohexylmethylcarbamoyl(methyl)amino]acetic acid
CID 43371697
cyclohexylmethyl N-(3-methoxyphenyl)-N-phenylcarbamate
CID 143865566
3-cyclohexyl-N-(3-fluorophenyl)-N-[3-(trifluoromethoxy)phenyl]propanamide
CID 166763737
(2S)-N-(cyclohexylmethyl)-2-(3-fluorophenyl)sulfonylpropanamide
CID 124509791
[2-(cyclohexylmethylamino)-2-oxoethyl] 2-(3-fluorophenoxy)acetate
CID 2382552

Frequently Asked Questions

What is the IUPAC name of 3-(cyclohexylmethyl)-1-(3-fluorophenyl)-1-phenylurea;2-methoxyacetic acid?
The IUPAC name of 3-(cyclohexylmethyl)-1-(3-fluorophenyl)-1-phenylurea;2-methoxyacetic acid (CID 143865610) is 3-(cyclohexylmethyl)-1-(3-fluorophenyl)-1-phenylurea;2-methoxyacetic acid.
What is the SMILES notation for 3-(cyclohexylmethyl)-1-(3-fluorophenyl)-1-phenylurea;2-methoxyacetic acid?
The canonical SMILES for 3-(cyclohexylmethyl)-1-(3-fluorophenyl)-1-phenylurea;2-methoxyacetic acid is COCC(=O)O.O=C(NCC1CCCCC1)N(c1ccccc1)c1cccc(F)c1.
What is the InChIKey of 3-(cyclohexylmethyl)-1-(3-fluorophenyl)-1-phenylurea;2-methoxyacetic acid?
The InChIKey is XWMCUPBVRPHBGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN2O.C3H6O3/c21-17-10-7-13-19(14-17)23(18-11-5-2-6-12-18)20(24)22-15-16-8-3-1-4-9-16;1-6-2-3(4)5/h2,5-7,10-14,16H,1,3-4,8-9,15H2,(H,22,24);2H2,1H3,(H,4,5).
What are the key properties of 3-(cyclohexylmethyl)-1-(3-fluorophenyl)-1-phenylurea;2-methoxyacetic acid?
3-(cyclohexylmethyl)-1-(3-fluorophenyl)-1-phenylurea;2-methoxyacetic acid has a molecular weight of 416.49 g/mol, XLogP of 4.97, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclohexylmethyl)-1-(3-fluorophenyl)-1-phenylurea;2-methoxyacetic acid is sourced from PubChem (CID 143865610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).