3-[4-(3-chlorophenoxy)phenyl]-1-(2-hydroxyethyl)-1-methylurea

C16H17ClN2O3 — CID 111431565

IUPAC3-[4-(3-chlorophenoxy)phenyl]-1-(2-hydroxyethyl)-1-methylurea
SMILESCN(CCO)C(=O)Nc1ccc(Oc2cccc(Cl)c2)cc1
InChIInChI=1S/C16H17ClN2O3/c1-19(9-10-20)16(21)18-13-5-7-14(8-6-13)22-15-4-2-3-12(17)11-15/h2-8,11,20H,9-10H2,1H3,(H,18,21)
InChIKeyLPYRWDQLQXLBKG-UHFFFAOYSA-N
MW320.78 g/mol
LogP3.59
Rot. Bonds5

About 3-[4-(3-chlorophenoxy)phenyl]-1-(2-hydroxyethyl)-1-methylurea

3-[4-(3-chlorophenoxy)phenyl]-1-(2-hydroxyethyl)-1-methylurea (PubChem CID 111431565) has the molecular formula C16H17ClN2O3 and a molecular weight of 320.78 g/mol. Its IUPAC name is 3-[4-(3-chlorophenoxy)phenyl]-1-(2-hydroxyethyl)-1-methylurea.

Molecular Properties

Compound Name3-[4-(3-chlorophenoxy)phenyl]-1-(2-hydroxyethyl)-1-methylurea
PubChem CID111431565
Molecular FormulaC16H17ClN2O3
Molecular Weight320.78 g/mol
Exact Mass320.09
IUPAC Name3-[4-(3-chlorophenoxy)phenyl]-1-(2-hydroxyethyl)-1-methylurea
SMILESCN(CCO)C(=O)Nc1ccc(Oc2cccc(Cl)c2)cc1
InChIInChI=1S/C16H17ClN2O3/c1-19(9-10-20)16(21)18-13-5-7-14(8-6-13)22-15-4-2-3-12(17)11-15/h2-8,11,20H,9-10H2,1H3,(H,18,21)
InChIKeyLPYRWDQLQXLBKG-UHFFFAOYSA-N
XLogP3.59
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.78
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(3-chlorophenoxy)ethyl]-3-(3-chlorophenyl)-1-methylurea
CID 24528515
3-(3-ethoxyphenyl)-1-(2-hydroxyethyl)-1-methylurea
CID 111431448
3-[4-(dimethylamino)phenyl]-1-(2-hydroxyethyl)-1-methylurea
CID 108894808
(2R)-2-(3-chlorophenoxy)-N-(4-phenoxyphenyl)butanamide
CID 28576952
N'-(3-chlorophenyl)-N-(4-phenoxyphenyl)oxamide
CID 44996265
3-(3-ethylphenyl)-1-(2-hydroxyethyl)-1-methylurea
CID 111431118
1-[2-(4-chlorophenoxy)ethyl]-1-methyl-3-(4-pyrimidin-2-yloxyphenyl)urea
CID 87044681
3-(3-chlorophenyl)-1-(2-hydroxyethyl)-1-(2-methoxyethyl)urea
CID 110929481
3-(3,4-dichlorophenyl)-1-(3-hydroxypropyl)-1-methylurea
CID 114230641
3-[3-(1-aminoethyl)phenyl]-1-(2-hydroxyethyl)-1-methylurea
CID 61341691
2-(4-chlorophenyl)-N-[4-(3-methylphenoxy)phenyl]acetamide
CID 5085866
3-(3-chloroanilino)-N-(4-phenoxyphenyl)propanamide
CID 109038068

Frequently Asked Questions

What is the IUPAC name of 3-[4-(3-chlorophenoxy)phenyl]-1-(2-hydroxyethyl)-1-methylurea?
The IUPAC name of 3-[4-(3-chlorophenoxy)phenyl]-1-(2-hydroxyethyl)-1-methylurea (CID 111431565) is 3-[4-(3-chlorophenoxy)phenyl]-1-(2-hydroxyethyl)-1-methylurea.
What is the SMILES notation for 3-[4-(3-chlorophenoxy)phenyl]-1-(2-hydroxyethyl)-1-methylurea?
The canonical SMILES for 3-[4-(3-chlorophenoxy)phenyl]-1-(2-hydroxyethyl)-1-methylurea is CN(CCO)C(=O)Nc1ccc(Oc2cccc(Cl)c2)cc1.
What is the InChIKey of 3-[4-(3-chlorophenoxy)phenyl]-1-(2-hydroxyethyl)-1-methylurea?
The InChIKey is LPYRWDQLQXLBKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O3/c1-19(9-10-20)16(21)18-13-5-7-14(8-6-13)22-15-4-2-3-12(17)11-15/h2-8,11,20H,9-10H2,1H3,(H,18,21).
What are the key properties of 3-[4-(3-chlorophenoxy)phenyl]-1-(2-hydroxyethyl)-1-methylurea?
3-[4-(3-chlorophenoxy)phenyl]-1-(2-hydroxyethyl)-1-methylurea has a molecular weight of 320.78 g/mol, XLogP of 3.59, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(3-chlorophenoxy)phenyl]-1-(2-hydroxyethyl)-1-methylurea is sourced from PubChem (CID 111431565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).