3-(2,5-dichlorophenyl)-1-ethyl-1-[1-(3-hydroxyphenyl)ethyl]urea

C17H18Cl2N2O2 — CID 60609346

IUPAC3-(2,5-dichlorophenyl)-1-ethyl-1-[1-(3-hydroxyphenyl)ethyl]urea
SMILESCCN(C(=O)Nc1cc(Cl)ccc1Cl)C(C)c1cccc(O)c1
InChIInChI=1S/C17H18Cl2N2O2/c1-3-21(11(2)12-5-4-6-14(22)9-12)17(23)20-16-10-13(18)7-8-15(16)19/h4-11,22H,3H2,1-2H3,(H,20,23)
InChIKeyIIBMEIFSFFQICC-UHFFFAOYSA-N
MW353.25 g/mol
LogP5.31
Rot. Bonds4

About 3-(2,5-dichlorophenyl)-1-ethyl-1-[1-(3-hydroxyphenyl)ethyl]urea

3-(2,5-dichlorophenyl)-1-ethyl-1-[1-(3-hydroxyphenyl)ethyl]urea (PubChem CID 60609346) has the molecular formula C17H18Cl2N2O2 and a molecular weight of 353.25 g/mol. Its IUPAC name is 3-(2,5-dichlorophenyl)-1-ethyl-1-[1-(3-hydroxyphenyl)ethyl]urea.

Molecular Properties

Compound Name3-(2,5-dichlorophenyl)-1-ethyl-1-[1-(3-hydroxyphenyl)ethyl]urea
PubChem CID60609346
Molecular FormulaC17H18Cl2N2O2
Molecular Weight353.25 g/mol
Exact Mass352.07
IUPAC Name3-(2,5-dichlorophenyl)-1-ethyl-1-[1-(3-hydroxyphenyl)ethyl]urea
SMILESCCN(C(=O)Nc1cc(Cl)ccc1Cl)C(C)c1cccc(O)c1
InChIInChI=1S/C17H18Cl2N2O2/c1-3-21(11(2)12-5-4-6-14(22)9-12)17(23)20-16-10-13(18)7-8-15(16)19/h4-11,22H,3H2,1-2H3,(H,20,23)
InChIKeyIIBMEIFSFFQICC-UHFFFAOYSA-N
XLogP5.31
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.25
LogP ≤ 55.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3-acetylphenyl)-1-ethyl-1-[(1S)-1-(3-hydroxyphenyl)ethyl]urea
CID 94798542
3-[(2S)-butan-2-yl]-1-ethyl-1-[(1S)-1-(3-hydroxyphenyl)ethyl]urea
CID 94797724
1-ethyl-1-[(1S)-1-(3-hydroxyphenyl)ethyl]-3-(2-oxochromen-6-yl)urea
CID 95163567
N-ethyl-N-[1-(3-hydroxyphenyl)ethyl]-2-methoxypropanamide
CID 112696419
3-(2,5-dichlorophenyl)-1-ethyl-1-phenylurea
CID 108886137
1-(1-cyanopropan-2-yl)-3-(2,5-dichlorophenyl)-1-methylurea
CID 63224591
N-(2,5-dichlorophenyl)-2-(3-hydroxyphenyl)acetamide
CID 61399999
2-[2-[ethyl-[1-(3-hydroxyphenyl)ethyl]amino]-2-oxoethoxy]acetic acid
CID 61327317
N-(2,5-dichlorophenyl)-N'-(2,6-diethylphenyl)oxamide
CID 108500926
(2S)-2-bromo-N-(2,5-dichlorophenyl)propanamide
CID 94831435
methyl 2-[(2,5-dichlorophenyl)carbamoyl-ethylamino]acetate
CID 54998078
3-amino-N-(2,5-dichlorophenyl)-2-methyl-3-phenylpropanamide
CID 80546727

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dichlorophenyl)-1-ethyl-1-[1-(3-hydroxyphenyl)ethyl]urea?
The IUPAC name of 3-(2,5-dichlorophenyl)-1-ethyl-1-[1-(3-hydroxyphenyl)ethyl]urea (CID 60609346) is 3-(2,5-dichlorophenyl)-1-ethyl-1-[1-(3-hydroxyphenyl)ethyl]urea.
What is the SMILES notation for 3-(2,5-dichlorophenyl)-1-ethyl-1-[1-(3-hydroxyphenyl)ethyl]urea?
The canonical SMILES for 3-(2,5-dichlorophenyl)-1-ethyl-1-[1-(3-hydroxyphenyl)ethyl]urea is CCN(C(=O)Nc1cc(Cl)ccc1Cl)C(C)c1cccc(O)c1.
What is the InChIKey of 3-(2,5-dichlorophenyl)-1-ethyl-1-[1-(3-hydroxyphenyl)ethyl]urea?
The InChIKey is IIBMEIFSFFQICC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18Cl2N2O2/c1-3-21(11(2)12-5-4-6-14(22)9-12)17(23)20-16-10-13(18)7-8-15(16)19/h4-11,22H,3H2,1-2H3,(H,20,23).
What are the key properties of 3-(2,5-dichlorophenyl)-1-ethyl-1-[1-(3-hydroxyphenyl)ethyl]urea?
3-(2,5-dichlorophenyl)-1-ethyl-1-[1-(3-hydroxyphenyl)ethyl]urea has a molecular weight of 353.25 g/mol, XLogP of 5.31, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dichlorophenyl)-1-ethyl-1-[1-(3-hydroxyphenyl)ethyl]urea is sourced from PubChem (CID 60609346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).