1-[(2,4-dichlorophenoxy)methyl]-3-(2-hydroxypropyl)urea

C11H14Cl2N2O3 — CID 108880979

IUPAC1-[(2,4-dichlorophenoxy)methyl]-3-(2-hydroxypropyl)urea
SMILESCC(O)CNC(=O)NCOc1ccc(Cl)cc1Cl
InChIInChI=1S/C11H14Cl2N2O3/c1-7(16)5-14-11(17)15-6-18-10-3-2-8(12)4-9(10)13/h2-4,7,16H,5-6H2,1H3,(H2,14,15,17)
InChIKeyNQXWURGOLJKCET-UHFFFAOYSA-N
MW293.15 g/mol
LogP2.01
Rot. Bonds5

About 1-[(2,4-dichlorophenoxy)methyl]-3-(2-hydroxypropyl)urea

1-[(2,4-dichlorophenoxy)methyl]-3-(2-hydroxypropyl)urea (PubChem CID 108880979) has the molecular formula C11H14Cl2N2O3 and a molecular weight of 293.15 g/mol. Its IUPAC name is 1-[(2,4-dichlorophenoxy)methyl]-3-(2-hydroxypropyl)urea.

Molecular Properties

Compound Name1-[(2,4-dichlorophenoxy)methyl]-3-(2-hydroxypropyl)urea
PubChem CID108880979
Molecular FormulaC11H14Cl2N2O3
Molecular Weight293.15 g/mol
Exact Mass292.04
IUPAC Name1-[(2,4-dichlorophenoxy)methyl]-3-(2-hydroxypropyl)urea
SMILESCC(O)CNC(=O)NCOc1ccc(Cl)cc1Cl
InChIInChI=1S/C11H14Cl2N2O3/c1-7(16)5-14-11(17)15-6-18-10-3-2-8(12)4-9(10)13/h2-4,7,16H,5-6H2,1H3,(H2,14,15,17)
InChIKeyNQXWURGOLJKCET-UHFFFAOYSA-N
XLogP2.01
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.15
LogP ≤ 52.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-[(2,4-dichlorophenoxy)methyl]-3-ethylurea
CID 108880980
1-tert-butyl-3-[(2,4-dichlorophenoxy)methyl]urea
CID 108880884
1-[(4-chlorophenyl)methyl]-3-[(2,4-dichlorophenoxy)methyl]urea
CID 108880889
1-[(2,4-dichlorophenoxy)methyl]-3-(1-phenylethyl)urea
CID 108880890
(2R)-2-(2,4-dichlorophenoxy)-N-[(2R)-2-hydroxypropyl]propanamide
CID 39950205
ethyl 2-[(2,4-dichlorophenoxy)methylcarbamoylamino]acetate
CID 108881148
1-[(2,4-dichlorophenoxy)methyl]-3-(2,6-dimethylphenyl)urea
CID 108881118
1-[(2,4-dichlorophenoxy)methyl]-3-[(2-methylphenyl)methyl]urea
CID 108881154
1-[(2,4-dichlorophenoxy)methyl]-3-(3,4-dichlorophenyl)urea
CID 108880841
1-[(2,4-dichlorophenoxy)methyl]-3-[2-(4-methoxyphenyl)ethyl]urea
CID 108880887
1-[(2,4-dichlorophenoxy)methyl]-3-(2-hydroxyphenyl)urea
CID 108880931
1-[(3-bromophenyl)methyl]-3-[(2,4-dichlorophenoxy)methyl]urea
CID 108881160

Frequently Asked Questions

What is the IUPAC name of 1-[(2,4-dichlorophenoxy)methyl]-3-(2-hydroxypropyl)urea?
The IUPAC name of 1-[(2,4-dichlorophenoxy)methyl]-3-(2-hydroxypropyl)urea (CID 108880979) is 1-[(2,4-dichlorophenoxy)methyl]-3-(2-hydroxypropyl)urea.
What is the SMILES notation for 1-[(2,4-dichlorophenoxy)methyl]-3-(2-hydroxypropyl)urea?
The canonical SMILES for 1-[(2,4-dichlorophenoxy)methyl]-3-(2-hydroxypropyl)urea is CC(O)CNC(=O)NCOc1ccc(Cl)cc1Cl.
What is the InChIKey of 1-[(2,4-dichlorophenoxy)methyl]-3-(2-hydroxypropyl)urea?
The InChIKey is NQXWURGOLJKCET-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14Cl2N2O3/c1-7(16)5-14-11(17)15-6-18-10-3-2-8(12)4-9(10)13/h2-4,7,16H,5-6H2,1H3,(H2,14,15,17).
What are the key properties of 1-[(2,4-dichlorophenoxy)methyl]-3-(2-hydroxypropyl)urea?
1-[(2,4-dichlorophenoxy)methyl]-3-(2-hydroxypropyl)urea has a molecular weight of 293.15 g/mol, XLogP of 2.01, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,4-dichlorophenoxy)methyl]-3-(2-hydroxypropyl)urea is sourced from PubChem (CID 108880979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).