1-(4-chloro-2-methoxy-5-methylphenyl)-3-(2-methoxyethyl)urea

C12H17ClN2O3 — CID 47196271

IUPAC1-(4-chloro-2-methoxy-5-methylphenyl)-3-(2-methoxyethyl)urea
SMILESCOCCNC(=O)Nc1cc(C)c(Cl)cc1OC
InChIInChI=1S/C12H17ClN2O3/c1-8-6-10(11(18-3)7-9(8)13)15-12(16)14-4-5-17-2/h6-7H,4-5H2,1-3H3,(H2,14,15,16)
InChIKeyCLUVPQHFXLNCQN-UHFFFAOYSA-N
MW272.73 g/mol
LogP2.42
Rot. Bonds5

About 1-(4-chloro-2-methoxy-5-methylphenyl)-3-(2-methoxyethyl)urea

1-(4-chloro-2-methoxy-5-methylphenyl)-3-(2-methoxyethyl)urea (PubChem CID 47196271) has the molecular formula C12H17ClN2O3 and a molecular weight of 272.73 g/mol. Its IUPAC name is 1-(4-chloro-2-methoxy-5-methylphenyl)-3-(2-methoxyethyl)urea.

Molecular Properties

Compound Name1-(4-chloro-2-methoxy-5-methylphenyl)-3-(2-methoxyethyl)urea
PubChem CID47196271
Molecular FormulaC12H17ClN2O3
Molecular Weight272.73 g/mol
Exact Mass272.09
IUPAC Name1-(4-chloro-2-methoxy-5-methylphenyl)-3-(2-methoxyethyl)urea
SMILESCOCCNC(=O)Nc1cc(C)c(Cl)cc1OC
InChIInChI=1S/C12H17ClN2O3/c1-8-6-10(11(18-3)7-9(8)13)15-12(16)14-4-5-17-2/h6-7H,4-5H2,1-3H3,(H2,14,15,16)
InChIKeyCLUVPQHFXLNCQN-UHFFFAOYSA-N
XLogP2.42
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.73
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[(4-chloro-2-methoxy-5-methylphenyl)carbamoylamino]ethoxy]acetic acid
CID 79463997
1-(4-chloro-2-methoxy-5-methylphenyl)-3-[2-(4-propan-2-ylphenoxy)ethyl]urea
CID 112972651
1-(4-chloro-2-methoxy-5-methylphenyl)-3-[3-(2-methylphenoxy)propyl]urea
CID 108883971
1-(4-chloro-2-methoxy-5-methylphenyl)-3-[2-(3-fluorophenoxy)ethyl]urea
CID 112970434
2-chloro-N-[(4-chloro-2-methoxy-5-methylphenyl)carbamoyl]acetamide
CID 43146022
1-(4-chloro-2-methoxy-5-methylphenyl)-3-[2-(2-fluorophenyl)ethyl]urea
CID 108900136
1-(4-chloro-2-methoxy-5-methylphenyl)-3-[2-(3-propan-2-ylphenoxy)ethyl]urea
CID 112972492
2-[(4-chloro-2-methoxy-5-methylphenyl)carbamoylamino]-3-methoxypropanoic acid
CID 81085869
2-[(5-chloro-2-methoxy-4-methylphenyl)carbamoylamino]acetic acid
CID 82502059
N'-(4-chloro-2-methoxy-5-methylphenyl)-N-[2-(2-hydroxyethoxy)ethyl]oxamide
CID 108524368
N-[2-(4-chloro-2-methoxy-5-methylanilino)-2-oxoethyl]-2-ethylbutanamide
CID 113001589
1-(4-chloro-2-methoxy-5-methylphenyl)-3-(oxolan-2-ylmethyl)urea
CID 47196268

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-2-methoxy-5-methylphenyl)-3-(2-methoxyethyl)urea?
The IUPAC name of 1-(4-chloro-2-methoxy-5-methylphenyl)-3-(2-methoxyethyl)urea (CID 47196271) is 1-(4-chloro-2-methoxy-5-methylphenyl)-3-(2-methoxyethyl)urea.
What is the SMILES notation for 1-(4-chloro-2-methoxy-5-methylphenyl)-3-(2-methoxyethyl)urea?
The canonical SMILES for 1-(4-chloro-2-methoxy-5-methylphenyl)-3-(2-methoxyethyl)urea is COCCNC(=O)Nc1cc(C)c(Cl)cc1OC.
What is the InChIKey of 1-(4-chloro-2-methoxy-5-methylphenyl)-3-(2-methoxyethyl)urea?
The InChIKey is CLUVPQHFXLNCQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O3/c1-8-6-10(11(18-3)7-9(8)13)15-12(16)14-4-5-17-2/h6-7H,4-5H2,1-3H3,(H2,14,15,16).
What are the key properties of 1-(4-chloro-2-methoxy-5-methylphenyl)-3-(2-methoxyethyl)urea?
1-(4-chloro-2-methoxy-5-methylphenyl)-3-(2-methoxyethyl)urea has a molecular weight of 272.73 g/mol, XLogP of 2.42, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-2-methoxy-5-methylphenyl)-3-(2-methoxyethyl)urea is sourced from PubChem (CID 47196271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).