1-(4-chloro-2-methoxy-5-methylphenyl)-3-[2-(3-fluorophenoxy)ethyl]urea

C17H18ClFN2O3 — CID 112970434

IUPAC1-(4-chloro-2-methoxy-5-methylphenyl)-3-[2-(3-fluorophenoxy)ethyl]urea
SMILESCOc1cc(Cl)c(C)cc1NC(=O)NCCOc1cccc(F)c1
InChIInChI=1S/C17H18ClFN2O3/c1-11-8-15(16(23-2)10-14(11)18)21-17(22)20-6-7-24-13-5-3-4-12(19)9-13/h3-5,8-10H,6-7H2,1-2H3,(H2,20,21,22)
InChIKeyXMQFTEDOLFTQEN-UHFFFAOYSA-N
MW352.79 g/mol
LogP4.00
Rot. Bonds6

About 1-(4-chloro-2-methoxy-5-methylphenyl)-3-[2-(3-fluorophenoxy)ethyl]urea

1-(4-chloro-2-methoxy-5-methylphenyl)-3-[2-(3-fluorophenoxy)ethyl]urea (PubChem CID 112970434) has the molecular formula C17H18ClFN2O3 and a molecular weight of 352.79 g/mol. Its IUPAC name is 1-(4-chloro-2-methoxy-5-methylphenyl)-3-[2-(3-fluorophenoxy)ethyl]urea.

Molecular Properties

Compound Name1-(4-chloro-2-methoxy-5-methylphenyl)-3-[2-(3-fluorophenoxy)ethyl]urea
PubChem CID112970434
Molecular FormulaC17H18ClFN2O3
Molecular Weight352.79 g/mol
Exact Mass352.10
IUPAC Name1-(4-chloro-2-methoxy-5-methylphenyl)-3-[2-(3-fluorophenoxy)ethyl]urea
SMILESCOc1cc(Cl)c(C)cc1NC(=O)NCCOc1cccc(F)c1
InChIInChI=1S/C17H18ClFN2O3/c1-11-8-15(16(23-2)10-14(11)18)21-17(22)20-6-7-24-13-5-3-4-12(19)9-13/h3-5,8-10H,6-7H2,1-2H3,(H2,20,21,22)
InChIKeyXMQFTEDOLFTQEN-UHFFFAOYSA-N
XLogP4.00
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.79
LogP ≤ 54.00
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

1-(4-chloro-2-methoxy-5-methylphenyl)-3-[2-(3-propan-2-ylphenoxy)ethyl]urea
CID 112972492
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-fluorophenyl)methyl]urea
CID 108898583
1-(4-chloro-2,5-dimethoxyphenyl)-3-[2-(3-ethoxyphenoxy)ethyl]urea
CID 112973111
1-(4-chloro-2-methoxy-5-methylphenyl)-3-(2-methoxyethyl)urea
CID 47196271
1-(4-chloro-2-methoxy-5-methylphenyl)-3-[3-(2-methylphenoxy)propyl]urea
CID 108883971
1-(4-bromo-2-methylphenyl)-3-[2-(3-fluorophenoxy)ethyl]urea
CID 112970416
1-(4-chloro-2-methoxy-5-methylphenyl)-3-[2-(2-fluorophenyl)ethyl]urea
CID 108900136
1-(5-chloro-2-methoxyphenyl)-3-[2-(3-methylphenoxy)ethyl]urea
CID 112969963
1-(5-chloro-2-methoxyphenyl)-3-[2-(4-chloro-3-methylphenoxy)ethyl]urea
CID 112976734
2-[2-[(4-chloro-2-methoxy-5-methylphenyl)carbamoylamino]ethoxy]acetic acid
CID 79463997
1-(2-chlorophenyl)-3-[2-(3-methoxyphenoxy)ethyl]urea
CID 112971568

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-2-methoxy-5-methylphenyl)-3-[2-(3-fluorophenoxy)ethyl]urea?
The IUPAC name of 1-(4-chloro-2-methoxy-5-methylphenyl)-3-[2-(3-fluorophenoxy)ethyl]urea (CID 112970434) is 1-(4-chloro-2-methoxy-5-methylphenyl)-3-[2-(3-fluorophenoxy)ethyl]urea.
What is the SMILES notation for 1-(4-chloro-2-methoxy-5-methylphenyl)-3-[2-(3-fluorophenoxy)ethyl]urea?
The canonical SMILES for 1-(4-chloro-2-methoxy-5-methylphenyl)-3-[2-(3-fluorophenoxy)ethyl]urea is COc1cc(Cl)c(C)cc1NC(=O)NCCOc1cccc(F)c1.
What is the InChIKey of 1-(4-chloro-2-methoxy-5-methylphenyl)-3-[2-(3-fluorophenoxy)ethyl]urea?
The InChIKey is XMQFTEDOLFTQEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClFN2O3/c1-11-8-15(16(23-2)10-14(11)18)21-17(22)20-6-7-24-13-5-3-4-12(19)9-13/h3-5,8-10H,6-7H2,1-2H3,(H2,20,21,22).
What are the key properties of 1-(4-chloro-2-methoxy-5-methylphenyl)-3-[2-(3-fluorophenoxy)ethyl]urea?
1-(4-chloro-2-methoxy-5-methylphenyl)-3-[2-(3-fluorophenoxy)ethyl]urea has a molecular weight of 352.79 g/mol, XLogP of 4.00, 6 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-(3-fluorophenoxy)ethyl]urea is sourced from PubChem (CID 112970434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).