3-(2-fluorophenyl)-1-[(3-phenoxyphenyl)methyl]-1-(1-phenylethyl)urea

C28H25FN2O2 — CID 42702973

IUPAC3-(2-fluorophenyl)-1-[(3-phenoxyphenyl)methyl]-1-(1-phenylethyl)urea
SMILESCC(c1ccccc1)N(Cc1cccc(Oc2ccccc2)c1)C(=O)Nc1ccccc1F
InChIInChI=1S/C28H25FN2O2/c1-21(23-12-4-2-5-13-23)31(28(32)30-27-18-9-8-17-26(27)29)20-22-11-10-16-25(19-22)33-24-14-6-3-7-15-24/h2-19,21H,20H2,1H3,(H,30,32)
InChIKeyIGIOKQIFGRXOIH-UHFFFAOYSA-N
MW440.52 g/mol
LogP7.41
Rot. Bonds7

About 3-(2-fluorophenyl)-1-[(3-phenoxyphenyl)methyl]-1-(1-phenylethyl)urea

3-(2-fluorophenyl)-1-[(3-phenoxyphenyl)methyl]-1-(1-phenylethyl)urea (PubChem CID 42702973) has the molecular formula C28H25FN2O2 and a molecular weight of 440.52 g/mol. Its IUPAC name is 3-(2-fluorophenyl)-1-[(3-phenoxyphenyl)methyl]-1-(1-phenylethyl)urea.

Molecular Properties

Compound Name3-(2-fluorophenyl)-1-[(3-phenoxyphenyl)methyl]-1-(1-phenylethyl)urea
PubChem CID42702973
Molecular FormulaC28H25FN2O2
Molecular Weight440.52 g/mol
Exact Mass440.19
IUPAC Name3-(2-fluorophenyl)-1-[(3-phenoxyphenyl)methyl]-1-(1-phenylethyl)urea
SMILESCC(c1ccccc1)N(Cc1cccc(Oc2ccccc2)c1)C(=O)Nc1ccccc1F
InChIInChI=1S/C28H25FN2O2/c1-21(23-12-4-2-5-13-23)31(28(32)30-27-18-9-8-17-26(27)29)20-22-11-10-16-25(19-22)33-24-14-6-3-7-15-24/h2-19,21H,20H2,1H3,(H,30,32)
InChIKeyIGIOKQIFGRXOIH-UHFFFAOYSA-N
XLogP7.41
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.52
LogP ≤ 57.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3-phenoxyphenyl)methyl]-N-(1-phenylethyl)hexanamide
CID 42702967
1-butan-2-yl-3-(2-methylphenyl)-1-[(3-phenoxyphenyl)methyl]urea
CID 42703287
4-chloro-N-[[3-(4-chlorophenoxy)phenyl]methyl]-N-(1-phenylethyl)benzamide
CID 42657158
1-benzyl-3-(2-fluorophenyl)-1-(1-hydroxy-3-methylbutan-2-yl)urea
CID 111430106
3-(2,4-dimethoxyphenyl)-1-[(2-fluorophenyl)methyl]-1-(1-phenylethyl)urea
CID 42696062
[3-[[butan-2-yl-[(2-fluorophenyl)carbamoyl]amino]methyl]phenyl] 3-(trifluoromethyl)benzenesulfonate
CID 4146999
3-(2-methoxyphenyl)-1-(2-methylpropyl)-1-[(3-phenoxyphenyl)methyl]urea
CID 42703414
1-butan-2-yl-3-(2-fluorophenyl)-1-[(3-methoxy-4-phenylmethoxyphenyl)methyl]urea
CID 42708380
(3-phenoxyphenyl)methyl N-(1-phenylethyl)-N-propan-2-ylcarbamate
CID 21125417
[3-[[naphthalen-1-ylcarbamoyl(propan-2-yl)amino]methyl]phenyl] methanesulfonate
CID 4229802
1-[(4-tert-butylphenyl)methyl]-3-(3-fluorophenyl)-1-(1-phenylethyl)urea
CID 42697504
3-[benzyl(1-phenylethyl)amino]-3-(3-phenoxyphenyl)propanoic acid
CID 135367595

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorophenyl)-1-[(3-phenoxyphenyl)methyl]-1-(1-phenylethyl)urea?
The IUPAC name of 3-(2-fluorophenyl)-1-[(3-phenoxyphenyl)methyl]-1-(1-phenylethyl)urea (CID 42702973) is 3-(2-fluorophenyl)-1-[(3-phenoxyphenyl)methyl]-1-(1-phenylethyl)urea.
What is the SMILES notation for 3-(2-fluorophenyl)-1-[(3-phenoxyphenyl)methyl]-1-(1-phenylethyl)urea?
The canonical SMILES for 3-(2-fluorophenyl)-1-[(3-phenoxyphenyl)methyl]-1-(1-phenylethyl)urea is CC(c1ccccc1)N(Cc1cccc(Oc2ccccc2)c1)C(=O)Nc1ccccc1F.
What is the InChIKey of 3-(2-fluorophenyl)-1-[(3-phenoxyphenyl)methyl]-1-(1-phenylethyl)urea?
The InChIKey is IGIOKQIFGRXOIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25FN2O2/c1-21(23-12-4-2-5-13-23)31(28(32)30-27-18-9-8-17-26(27)29)20-22-11-10-16-25(19-22)33-24-14-6-3-7-15-24/h2-19,21H,20H2,1H3,(H,30,32).
What are the key properties of 3-(2-fluorophenyl)-1-[(3-phenoxyphenyl)methyl]-1-(1-phenylethyl)urea?
3-(2-fluorophenyl)-1-[(3-phenoxyphenyl)methyl]-1-(1-phenylethyl)urea has a molecular weight of 440.52 g/mol, XLogP of 7.41, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorophenyl)-1-[(3-phenoxyphenyl)methyl]-1-(1-phenylethyl)urea is sourced from PubChem (CID 42702973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).