1-[2-(4-chlorophenyl)ethyl]-3-(2-methoxyethyl)urea

C12H17ClN2O2 — CID 47133600

IUPAC1-[2-(4-chlorophenyl)ethyl]-3-(2-methoxyethyl)urea
SMILESCOCCNC(=O)NCCc1ccc(Cl)cc1
InChIInChI=1S/C12H17ClN2O2/c1-17-9-8-15-12(16)14-7-6-10-2-4-11(13)5-3-10/h2-5H,6-9H2,1H3,(H2,14,15,16)
InChIKeyMSLKCLZFQOGRAB-UHFFFAOYSA-N
MW256.73 g/mol
LogP1.83
Rot. Bonds6

About 1-[2-(4-chlorophenyl)ethyl]-3-(2-methoxyethyl)urea

1-[2-(4-chlorophenyl)ethyl]-3-(2-methoxyethyl)urea (PubChem CID 47133600) has the molecular formula C12H17ClN2O2 and a molecular weight of 256.73 g/mol. Its IUPAC name is 1-[2-(4-chlorophenyl)ethyl]-3-(2-methoxyethyl)urea.

Molecular Properties

Compound Name1-[2-(4-chlorophenyl)ethyl]-3-(2-methoxyethyl)urea
PubChem CID47133600
Molecular FormulaC12H17ClN2O2
Molecular Weight256.73 g/mol
Exact Mass256.10
IUPAC Name1-[2-(4-chlorophenyl)ethyl]-3-(2-methoxyethyl)urea
SMILESCOCCNC(=O)NCCc1ccc(Cl)cc1
InChIInChI=1S/C12H17ClN2O2/c1-17-9-8-15-12(16)14-7-6-10-2-4-11(13)5-3-10/h2-5H,6-9H2,1H3,(H2,14,15,16)
InChIKeyMSLKCLZFQOGRAB-UHFFFAOYSA-N
XLogP1.83
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.73
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[2-(4-chlorophenyl)ethyl]-3-(2-methoxyethyl)thiourea
CID 8669388
1-[2-(3,5-dichlorophenyl)ethyl]-3-(2-methoxyethyl)urea
CID 47442422
3-N-[2-(4-chlorophenyl)ethyl]-5-N-(2-methoxyethyl)pyridine-3,5-dicarboxamide
CID 109103432
1-[2-(4-chlorophenyl)ethyl]-3-[2-(3,4-dimethoxyphenyl)ethyl]urea
CID 108891453
3-[2-(4-chlorophenyl)ethyl]-1,1-bis(2-methoxyethyl)urea
CID 108891943
methyl 4-[[2-(4-chlorophenyl)ethylcarbamoylamino]methyl]benzoate
CID 34668652
tert-butyl N-[2-[2-(4-chlorophenyl)ethylcarbamoylamino]ethyl]carbamate
CID 108864604
1-[2-(4-chlorophenyl)ethyl]-3-[2-(2-ethylphenoxy)ethyl]urea
CID 112971684
1-[(4-chlorophenoxy)methyl]-3-[2-(4-chlorophenyl)ethyl]urea
CID 108885405
1-[(4-chlorobenzoyl)amino]-3-(2-methoxyethyl)urea
CID 47133922
1-(3-methoxypropyl)-3-[2-(4-methylphenyl)ethyl]urea
CID 108891008
4-chloro-N-(2-methoxyethyl)benzamide
CID 3457742

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-chlorophenyl)ethyl]-3-(2-methoxyethyl)urea?
The IUPAC name of 1-[2-(4-chlorophenyl)ethyl]-3-(2-methoxyethyl)urea (CID 47133600) is 1-[2-(4-chlorophenyl)ethyl]-3-(2-methoxyethyl)urea.
What is the SMILES notation for 1-[2-(4-chlorophenyl)ethyl]-3-(2-methoxyethyl)urea?
The canonical SMILES for 1-[2-(4-chlorophenyl)ethyl]-3-(2-methoxyethyl)urea is COCCNC(=O)NCCc1ccc(Cl)cc1.
What is the InChIKey of 1-[2-(4-chlorophenyl)ethyl]-3-(2-methoxyethyl)urea?
The InChIKey is MSLKCLZFQOGRAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O2/c1-17-9-8-15-12(16)14-7-6-10-2-4-11(13)5-3-10/h2-5H,6-9H2,1H3,(H2,14,15,16).
What are the key properties of 1-[2-(4-chlorophenyl)ethyl]-3-(2-methoxyethyl)urea?
1-[2-(4-chlorophenyl)ethyl]-3-(2-methoxyethyl)urea has a molecular weight of 256.73 g/mol, XLogP of 1.83, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-chlorophenyl)ethyl]-3-(2-methoxyethyl)urea is sourced from PubChem (CID 47133600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).