1-(4-phenacyloxyphenyl)-3-phenylurea

C21H18N2O3 — CID 172640057

IUPAC1-(4-phenacyloxyphenyl)-3-phenylurea
SMILESO=C(Nc1ccccc1)Nc1ccc(OCC(=O)c2ccccc2)cc1
InChIInChI=1S/C21H18N2O3/c24-20(16-7-3-1-4-8-16)15-26-19-13-11-18(12-14-19)23-21(25)22-17-9-5-2-6-10-17/h1-14H,15H2,(H2,22,23,25)
InChIKeyZIGVMTRGUVTBLA-UHFFFAOYSA-N
MW346.39 g/mol
LogP4.59
Rot. Bonds6

About 1-(4-phenacyloxyphenyl)-3-phenylurea

1-(4-phenacyloxyphenyl)-3-phenylurea (PubChem CID 172640057) has the molecular formula C21H18N2O3 and a molecular weight of 346.39 g/mol. Its IUPAC name is 1-(4-phenacyloxyphenyl)-3-phenylurea.

Molecular Properties

Compound Name1-(4-phenacyloxyphenyl)-3-phenylurea
PubChem CID172640057
Molecular FormulaC21H18N2O3
Molecular Weight346.39 g/mol
Exact Mass346.13
IUPAC Name1-(4-phenacyloxyphenyl)-3-phenylurea
SMILESO=C(Nc1ccccc1)Nc1ccc(OCC(=O)c2ccccc2)cc1
InChIInChI=1S/C21H18N2O3/c24-20(16-7-3-1-4-8-16)15-26-19-13-11-18(12-14-19)23-21(25)22-17-9-5-2-6-10-17/h1-14H,15H2,(H2,22,23,25)
InChIKeyZIGVMTRGUVTBLA-UHFFFAOYSA-N
XLogP4.59
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 54.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-phenacyloxyphenoxy)-1-phenylethanone
CID 962120
2-(4-benzamidophenoxy)acetic acid
CID 3830392
N-[4-[2-(4-methoxyphenyl)-2-oxoethoxy]phenyl]-2-phenylacetamide
CID 163663430
phenol;2-phenoxy-1-phenylethanone
CID 161484281
CID 123801738
CID 123801738
N-[4-[2-(4-ethoxyphenoxy)acetyl]phenyl]acetamide
CID 2560779
1-phenyl-2-[4-(trifluoromethyl)phenoxy]ethanone
CID 60624077
2-[4-(phenylcarbamoyl)phenoxy]acetic acid
CID 28762607
2-chloro-N-[4-[2-(4-chlorophenyl)-2-oxoethoxy]phenyl]benzamide
CID 19644954
2-[4-(pyridin-3-ylcarbamoylamino)phenoxy]acetic acid
CID 63773250
2-[3-(phenylcarbamoylamino)phenoxy]acetic acid
CID 61057845
4-(2-anilino-2-oxoethoxy)-N-phenylbenzamide
CID 10545541

Frequently Asked Questions

What is the IUPAC name of 1-(4-phenacyloxyphenyl)-3-phenylurea?
The IUPAC name of 1-(4-phenacyloxyphenyl)-3-phenylurea (CID 172640057) is 1-(4-phenacyloxyphenyl)-3-phenylurea.
What is the SMILES notation for 1-(4-phenacyloxyphenyl)-3-phenylurea?
The canonical SMILES for 1-(4-phenacyloxyphenyl)-3-phenylurea is O=C(Nc1ccccc1)Nc1ccc(OCC(=O)c2ccccc2)cc1.
What is the InChIKey of 1-(4-phenacyloxyphenyl)-3-phenylurea?
The InChIKey is ZIGVMTRGUVTBLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O3/c24-20(16-7-3-1-4-8-16)15-26-19-13-11-18(12-14-19)23-21(25)22-17-9-5-2-6-10-17/h1-14H,15H2,(H2,22,23,25).
What are the key properties of 1-(4-phenacyloxyphenyl)-3-phenylurea?
1-(4-phenacyloxyphenyl)-3-phenylurea has a molecular weight of 346.39 g/mol, XLogP of 4.59, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-phenacyloxyphenyl)-3-phenylurea is sourced from PubChem (CID 172640057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).