1-[1-(3-chlorophenyl)ethyl]-3-cyclopentylurea

C14H19ClN2O — CID 42924600

IUPAC1-[1-(3-chlorophenyl)ethyl]-3-cyclopentylurea
SMILESCC(NC(=O)NC1CCCC1)c1cccc(Cl)c1
InChIInChI=1S/C14H19ClN2O/c1-10(11-5-4-6-12(15)9-11)16-14(18)17-13-7-2-3-8-13/h4-6,9-10,13H,2-3,7-8H2,1H3,(H2,16,17,18)
InChIKeyOQQCNLSQCWGGHF-UHFFFAOYSA-N
MW266.77 g/mol
LogP3.64
Rot. Bonds3

About 1-[1-(3-chlorophenyl)ethyl]-3-cyclopentylurea

1-[1-(3-chlorophenyl)ethyl]-3-cyclopentylurea (PubChem CID 42924600) has the molecular formula C14H19ClN2O and a molecular weight of 266.77 g/mol. Its IUPAC name is 1-[1-(3-chlorophenyl)ethyl]-3-cyclopentylurea.

Molecular Properties

Compound Name1-[1-(3-chlorophenyl)ethyl]-3-cyclopentylurea
PubChem CID42924600
Molecular FormulaC14H19ClN2O
Molecular Weight266.77 g/mol
Exact Mass266.12
IUPAC Name1-[1-(3-chlorophenyl)ethyl]-3-cyclopentylurea
SMILESCC(NC(=O)NC1CCCC1)c1cccc(Cl)c1
InChIInChI=1S/C14H19ClN2O/c1-10(11-5-4-6-12(15)9-11)16-14(18)17-13-7-2-3-8-13/h4-6,9-10,13H,2-3,7-8H2,1H3,(H2,16,17,18)
InChIKeyOQQCNLSQCWGGHF-UHFFFAOYSA-N
XLogP3.64
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.77
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-chlorophenyl)ethyl]-3-cyclopentylurea?
The IUPAC name of 1-[1-(3-chlorophenyl)ethyl]-3-cyclopentylurea (CID 42924600) is 1-[1-(3-chlorophenyl)ethyl]-3-cyclopentylurea.
What is the SMILES notation for 1-[1-(3-chlorophenyl)ethyl]-3-cyclopentylurea?
The canonical SMILES for 1-[1-(3-chlorophenyl)ethyl]-3-cyclopentylurea is CC(NC(=O)NC1CCCC1)c1cccc(Cl)c1.
What is the InChIKey of 1-[1-(3-chlorophenyl)ethyl]-3-cyclopentylurea?
The InChIKey is OQQCNLSQCWGGHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O/c1-10(11-5-4-6-12(15)9-11)16-14(18)17-13-7-2-3-8-13/h4-6,9-10,13H,2-3,7-8H2,1H3,(H2,16,17,18).
What are the key properties of 1-[1-(3-chlorophenyl)ethyl]-3-cyclopentylurea?
1-[1-(3-chlorophenyl)ethyl]-3-cyclopentylurea has a molecular weight of 266.77 g/mol, XLogP of 3.64, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-chlorophenyl)ethyl]-3-cyclopentylurea is sourced from PubChem (CID 42924600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).