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

C16H23ClN2O2 — CID 110775836

IUPAC1-[2-(5-chloro-4-methoxy-2-methylphenyl)ethyl]-3-cyclopentylurea
SMILESCOc1cc(C)c(CCNC(=O)NC2CCCC2)cc1Cl
InChIInChI=1S/C16H23ClN2O2/c1-11-9-15(21-2)14(17)10-12(11)7-8-18-16(20)19-13-5-3-4-6-13/h9-10,13H,3-8H2,1-2H3,(H2,18,19,20)
InChIKeyMESDOTUTYCCYII-UHFFFAOYSA-N
MW310.83 g/mol
LogP3.44
Rot. Bonds5

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

1-[2-(5-chloro-4-methoxy-2-methylphenyl)ethyl]-3-cyclopentylurea (PubChem CID 110775836) has the molecular formula C16H23ClN2O2 and a molecular weight of 310.83 g/mol. Its IUPAC name is 1-[2-(5-chloro-4-methoxy-2-methylphenyl)ethyl]-3-cyclopentylurea.

Molecular Properties

Compound Name1-[2-(5-chloro-4-methoxy-2-methylphenyl)ethyl]-3-cyclopentylurea
PubChem CID110775836
Molecular FormulaC16H23ClN2O2
Molecular Weight310.83 g/mol
Exact Mass310.14
IUPAC Name1-[2-(5-chloro-4-methoxy-2-methylphenyl)ethyl]-3-cyclopentylurea
SMILESCOc1cc(C)c(CCNC(=O)NC2CCCC2)cc1Cl
InChIInChI=1S/C16H23ClN2O2/c1-11-9-15(21-2)14(17)10-12(11)7-8-18-16(20)19-13-5-3-4-6-13/h9-10,13H,3-8H2,1-2H3,(H2,18,19,20)
InChIKeyMESDOTUTYCCYII-UHFFFAOYSA-N
XLogP3.44
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.83
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(5-chloro-4-methoxy-2-methylphenyl)ethyl]acetamide
CID 110788808
N-(4-chloro-2,5-dimethoxyphenyl)-2-(cyclohexylcarbamoylamino)acetamide
CID 113001569
N-[2-(5-chloro-4-methoxy-2-methylphenyl)ethyl]oxolane-2-carboxamide
CID 110788813
1-cyclopentyl-3-[(2-methoxy-4,5-dimethylphenyl)methyl]urea
CID 110774921
1-cyclohexyl-3-[2-(5-fluoro-2-methoxyphenyl)ethyl]urea
CID 110775679
1-cyclopentyl-3-[2-(2,4-dimethoxy-3-methylphenyl)ethyl]urea
CID 110775953
1-[2-(5-chloro-4-ethoxy-2-methylphenyl)ethyl]-3-propylurea
CID 110775837
N-[2-(5-chloro-2-methoxy-4-methylphenyl)ethyl]cyclobutanecarboxamide
CID 110788802
1-[2-(2-chloro-5-methylphenoxy)ethyl]-3-cyclopentylurea
CID 112976796
N-[(5-chloro-4-methoxy-2-methylphenyl)methyl]cyclobutanecarboxamide
CID 110781882
N-cyclopentyl-2-(2,5-dimethoxy-4-methylphenyl)acetamide
CID 110769695
1-[2-(7-chloro-6-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]-3-(oxan-4-yl)urea
CID 110609264

Frequently Asked Questions

What is the IUPAC name of 1-[2-(5-chloro-4-methoxy-2-methylphenyl)ethyl]-3-cyclopentylurea?
The IUPAC name of 1-[2-(5-chloro-4-methoxy-2-methylphenyl)ethyl]-3-cyclopentylurea (CID 110775836) is 1-[2-(5-chloro-4-methoxy-2-methylphenyl)ethyl]-3-cyclopentylurea.
What is the SMILES notation for 1-[2-(5-chloro-4-methoxy-2-methylphenyl)ethyl]-3-cyclopentylurea?
The canonical SMILES for 1-[2-(5-chloro-4-methoxy-2-methylphenyl)ethyl]-3-cyclopentylurea is COc1cc(C)c(CCNC(=O)NC2CCCC2)cc1Cl.
What is the InChIKey of 1-[2-(5-chloro-4-methoxy-2-methylphenyl)ethyl]-3-cyclopentylurea?
The InChIKey is MESDOTUTYCCYII-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2O2/c1-11-9-15(21-2)14(17)10-12(11)7-8-18-16(20)19-13-5-3-4-6-13/h9-10,13H,3-8H2,1-2H3,(H2,18,19,20).
What are the key properties of 1-[2-(5-chloro-4-methoxy-2-methylphenyl)ethyl]-3-cyclopentylurea?
1-[2-(5-chloro-4-methoxy-2-methylphenyl)ethyl]-3-cyclopentylurea has a molecular weight of 310.83 g/mol, XLogP of 3.44, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(5-chloro-4-methoxy-2-methylphenyl)ethyl]-3-cyclopentylurea is sourced from PubChem (CID 110775836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).