2-(5-chloro-2-methoxy-3-methylphenyl)ethylurea

C11H15ClN2O2 — CID 115168519

IUPAC2-(5-chloro-2-methoxy-3-methylphenyl)ethylurea
SMILESCOc1c(C)cc(Cl)cc1CCNC(N)=O
InChIInChI=1S/C11H15ClN2O2/c1-7-5-9(12)6-8(10(7)16-2)3-4-14-11(13)15/h5-6H,3-4H2,1-2H3,(H3,13,14,15)
InChIKeyVZUGOMSTWAAMOI-UHFFFAOYSA-N
MW242.71 g/mol
LogP1.87
Rot. Bonds4

About 2-(5-chloro-2-methoxy-3-methylphenyl)ethylurea

2-(5-chloro-2-methoxy-3-methylphenyl)ethylurea (PubChem CID 115168519) has the molecular formula C11H15ClN2O2 and a molecular weight of 242.71 g/mol. Its IUPAC name is 2-(5-chloro-2-methoxy-3-methylphenyl)ethylurea.

Molecular Properties

Compound Name2-(5-chloro-2-methoxy-3-methylphenyl)ethylurea
PubChem CID115168519
Molecular FormulaC11H15ClN2O2
Molecular Weight242.71 g/mol
Exact Mass242.08
IUPAC Name2-(5-chloro-2-methoxy-3-methylphenyl)ethylurea
SMILESCOc1c(C)cc(Cl)cc1CCNC(N)=O
InChIInChI=1S/C11H15ClN2O2/c1-7-5-9(12)6-8(10(7)16-2)3-4-14-11(13)15/h5-6H,3-4H2,1-2H3,(H3,13,14,15)
InChIKeyVZUGOMSTWAAMOI-UHFFFAOYSA-N
XLogP1.87
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.71
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

methyl N-[2-(5-chloro-2-methoxy-3-methylphenyl)ethyl]carbamate
CID 110789555
1-[2-(5-chloro-2-methoxy-3-methylphenyl)ethylamino]propan-2-one
CID 115235019
2-(4-methoxy-3,5-dimethylphenyl)ethylurea
CID 115168574
N-[(5-chloro-2-methoxy-3-methylphenyl)methyl]propanamide
CID 110782924
N-[(5-chloro-2-methoxy-3-methylphenyl)methyl]butanamide
CID 110782925
N'-[2-(2-methoxy-3,5-dimethylphenyl)ethyl]oxamide
CID 115192109
N-[(5-chloro-2-methoxy-3-methylphenyl)methyl]-3-hydroxypropanamide
CID 115139037
N-[2-(5-chloro-2-methoxy-3-methylphenyl)ethyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 110795721
N-[2-(5-chloro-2-methoxy-3-methylphenyl)ethyl]cyclopropanamine
CID 96661815
N-[2-(3,5-dichloro-2-methoxyphenyl)ethyl]carbamoyl bromide
CID 115193935
4-(5-chloro-2-methoxy-3-methylphenyl)-2-methylbutanoic acid
CID 116926918
2-(5-chloro-2-methoxy-3-methylphenyl)-N-[2-(dimethylamino)ethyl]acetamide
CID 110769441

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-methoxy-3-methylphenyl)ethylurea?
The IUPAC name of 2-(5-chloro-2-methoxy-3-methylphenyl)ethylurea (CID 115168519) is 2-(5-chloro-2-methoxy-3-methylphenyl)ethylurea.
What is the SMILES notation for 2-(5-chloro-2-methoxy-3-methylphenyl)ethylurea?
The canonical SMILES for 2-(5-chloro-2-methoxy-3-methylphenyl)ethylurea is COc1c(C)cc(Cl)cc1CCNC(N)=O.
What is the InChIKey of 2-(5-chloro-2-methoxy-3-methylphenyl)ethylurea?
The InChIKey is VZUGOMSTWAAMOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O2/c1-7-5-9(12)6-8(10(7)16-2)3-4-14-11(13)15/h5-6H,3-4H2,1-2H3,(H3,13,14,15).
What are the key properties of 2-(5-chloro-2-methoxy-3-methylphenyl)ethylurea?
2-(5-chloro-2-methoxy-3-methylphenyl)ethylurea has a molecular weight of 242.71 g/mol, XLogP of 1.87, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-methoxy-3-methylphenyl)ethylurea is sourced from PubChem (CID 115168519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).