3-(3-chloro-4-methylphenyl)-1-ethyl-1-(3-hydroxypropyl)urea

C13H19ClN2O2 — CID 115662904

IUPAC3-(3-chloro-4-methylphenyl)-1-ethyl-1-(3-hydroxypropyl)urea
SMILESCCN(CCCO)C(=O)Nc1ccc(C)c(Cl)c1
InChIInChI=1S/C13H19ClN2O2/c1-3-16(7-4-8-17)13(18)15-11-6-5-10(2)12(14)9-11/h5-6,9,17H,3-4,7-8H2,1-2H3,(H,15,18)
InChIKeyDXBZLKPYQJIZOR-UHFFFAOYSA-N
MW270.76 g/mol
LogP2.88
Rot. Bonds5

About 3-(3-chloro-4-methylphenyl)-1-ethyl-1-(3-hydroxypropyl)urea

3-(3-chloro-4-methylphenyl)-1-ethyl-1-(3-hydroxypropyl)urea (PubChem CID 115662904) has the molecular formula C13H19ClN2O2 and a molecular weight of 270.76 g/mol. Its IUPAC name is 3-(3-chloro-4-methylphenyl)-1-ethyl-1-(3-hydroxypropyl)urea.

Molecular Properties

Compound Name3-(3-chloro-4-methylphenyl)-1-ethyl-1-(3-hydroxypropyl)urea
PubChem CID115662904
Molecular FormulaC13H19ClN2O2
Molecular Weight270.76 g/mol
Exact Mass270.11
IUPAC Name3-(3-chloro-4-methylphenyl)-1-ethyl-1-(3-hydroxypropyl)urea
SMILESCCN(CCCO)C(=O)Nc1ccc(C)c(Cl)c1
InChIInChI=1S/C13H19ClN2O2/c1-3-16(7-4-8-17)13(18)15-11-6-5-10(2)12(14)9-11/h5-6,9,17H,3-4,7-8H2,1-2H3,(H,15,18)
InChIKeyDXBZLKPYQJIZOR-UHFFFAOYSA-N
XLogP2.88
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.76
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-chloro-4-methylphenyl)-2-[ethyl(3-hydroxypropyl)amino]acetamide
CID 115669605
2-chloro-4-[[ethyl(2-hydroxyethyl)carbamoyl]amino]benzoic acid
CID 61399303
3-(3-bromo-4-methylphenyl)-1-(2-hydroxyethyl)-1-(3-hydroxypropyl)urea
CID 111925952
3-(3,4-dichlorophenyl)-1-(3-hydroxypropyl)-1-methylurea
CID 114230641
1-(3-amino-2,2-dimethylpropyl)-3-(3-chloro-4-methylphenyl)-1-propylurea
CID 79663881
3-[(3-chloro-4-fluorophenyl)carbamoyl-ethylamino]propanoic acid
CID 61194987
2-chloro-4-[[2-ethoxyethyl(ethyl)carbamoyl]amino]benzoic acid
CID 63691124
3-(4-chlorophenyl)-1-(2-hydroxyethyl)-1-(3-hydroxypropyl)urea
CID 111115015
2-chloro-5-[[3-hydroxypropyl(methyl)carbamoyl]amino]benzoic acid
CID 114230397
N-(3-chloro-4-methylphenyl)-2-[3-(dimethylamino)propylamino]acetamide
CID 108995126
N'-(3-chloro-4-methylphenyl)-N-[3-(dimethylamino)propyl]oxamide
CID 7585404
3-(3-chloro-4-pyrazol-1-ylphenyl)-1-ethyl-1-(2-hydroxyethyl)urea
CID 110929101

Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-4-methylphenyl)-1-ethyl-1-(3-hydroxypropyl)urea?
The IUPAC name of 3-(3-chloro-4-methylphenyl)-1-ethyl-1-(3-hydroxypropyl)urea (CID 115662904) is 3-(3-chloro-4-methylphenyl)-1-ethyl-1-(3-hydroxypropyl)urea.
What is the SMILES notation for 3-(3-chloro-4-methylphenyl)-1-ethyl-1-(3-hydroxypropyl)urea?
The canonical SMILES for 3-(3-chloro-4-methylphenyl)-1-ethyl-1-(3-hydroxypropyl)urea is CCN(CCCO)C(=O)Nc1ccc(C)c(Cl)c1.
What is the InChIKey of 3-(3-chloro-4-methylphenyl)-1-ethyl-1-(3-hydroxypropyl)urea?
The InChIKey is DXBZLKPYQJIZOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O2/c1-3-16(7-4-8-17)13(18)15-11-6-5-10(2)12(14)9-11/h5-6,9,17H,3-4,7-8H2,1-2H3,(H,15,18).
What are the key properties of 3-(3-chloro-4-methylphenyl)-1-ethyl-1-(3-hydroxypropyl)urea?
3-(3-chloro-4-methylphenyl)-1-ethyl-1-(3-hydroxypropyl)urea has a molecular weight of 270.76 g/mol, XLogP of 2.88, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-4-methylphenyl)-1-ethyl-1-(3-hydroxypropyl)urea is sourced from PubChem (CID 115662904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).