1-(3-chloro-4-methoxyphenyl)-3-[2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)ethyl]urea

C20H23ClN2O3 — CID 112975064

IUPAC1-(3-chloro-4-methoxyphenyl)-3-[2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)ethyl]urea
SMILESCOc1ccc(NC(=O)NCCOc2cccc3c2CCCC3)cc1Cl
InChIInChI=1S/C20H23ClN2O3/c1-25-19-10-9-15(13-17(19)21)23-20(24)22-11-12-26-18-8-4-6-14-5-2-3-7-16(14)18/h4,6,8-10,13H,2-3,5,7,11-12H2,1H3,(H2,22,23,24)
InChIKeyMPPIUSVGAIYEPS-UHFFFAOYSA-N
MW374.87 g/mol
LogP4.43
Rot. Bonds6

About 1-(3-chloro-4-methoxyphenyl)-3-[2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)ethyl]urea

1-(3-chloro-4-methoxyphenyl)-3-[2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)ethyl]urea (PubChem CID 112975064) has the molecular formula C20H23ClN2O3 and a molecular weight of 374.87 g/mol. Its IUPAC name is 1-(3-chloro-4-methoxyphenyl)-3-[2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)ethyl]urea.

Molecular Properties

Compound Name1-(3-chloro-4-methoxyphenyl)-3-[2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)ethyl]urea
PubChem CID112975064
Molecular FormulaC20H23ClN2O3
Molecular Weight374.87 g/mol
Exact Mass374.14
IUPAC Name1-(3-chloro-4-methoxyphenyl)-3-[2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)ethyl]urea
SMILESCOc1ccc(NC(=O)NCCOc2cccc3c2CCCC3)cc1Cl
InChIInChI=1S/C20H23ClN2O3/c1-25-19-10-9-15(13-17(19)21)23-20(24)22-11-12-26-18-8-4-6-14-5-2-3-7-16(14)18/h4,6,8-10,13H,2-3,5,7,11-12H2,1H3,(H2,22,23,24)
InChIKeyMPPIUSVGAIYEPS-UHFFFAOYSA-N
XLogP4.43
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.87
LogP ≤ 54.43
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-(3-acetylphenyl)-3-[2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)ethyl]urea
CID 112975078
1-(3-bromophenyl)-3-[2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)ethyl]urea
CID 112975091
1-(3-chloro-4-fluorophenyl)-3-[2-(2-methoxy-4-methylphenoxy)ethyl]urea
CID 112975360
1-(2-cyanophenyl)-3-[2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)ethyl]urea
CID 112975099
1-cyclohexyl-3-[2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)ethyl]urea
CID 112974981
1-[2-(1,3-benzodioxol-5-yloxy)ethyl]-3-(3-chloro-4-methoxyphenyl)urea
CID 112975182
1-(3-chloro-4-methylphenyl)-3-[2-(2-ethylphenoxy)ethyl]urea
CID 112971745
1-(3-chloro-4-methoxyphenyl)-3-(3-methylbutyl)urea
CID 47195717
N-(3-chloro-4-fluorophenyl)-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)acetamide
CID 100719602
1-(3-chloro-4-methoxyphenyl)-3-[2-(4-methoxyphenyl)ethyl]urea
CID 108901858
1-[2-(2-methoxy-4-methylphenoxy)ethyl]-3-(3-methoxyphenyl)urea
CID 112975367
1-(3-chloro-4-methoxyphenyl)-3-[(2-methoxyphenyl)methyl]urea
CID 38158814

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-methoxyphenyl)-3-[2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)ethyl]urea?
The IUPAC name of 1-(3-chloro-4-methoxyphenyl)-3-[2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)ethyl]urea (CID 112975064) is 1-(3-chloro-4-methoxyphenyl)-3-[2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)ethyl]urea.
What is the SMILES notation for 1-(3-chloro-4-methoxyphenyl)-3-[2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)ethyl]urea?
The canonical SMILES for 1-(3-chloro-4-methoxyphenyl)-3-[2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)ethyl]urea is COc1ccc(NC(=O)NCCOc2cccc3c2CCCC3)cc1Cl.
What is the InChIKey of 1-(3-chloro-4-methoxyphenyl)-3-[2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)ethyl]urea?
The InChIKey is MPPIUSVGAIYEPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN2O3/c1-25-19-10-9-15(13-17(19)21)23-20(24)22-11-12-26-18-8-4-6-14-5-2-3-7-16(14)18/h4,6,8-10,13H,2-3,5,7,11-12H2,1H3,(H2,22,23,24).
What are the key properties of 1-(3-chloro-4-methoxyphenyl)-3-[2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)ethyl]urea?
1-(3-chloro-4-methoxyphenyl)-3-[2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)ethyl]urea has a molecular weight of 374.87 g/mol, XLogP of 4.43, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-methoxyphenyl)-3-[2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)ethyl]urea is sourced from PubChem (CID 112975064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).