1-[(4-chlorophenyl)methyl]-1-cyclopentylurea

C13H17ClN2O — CID 67797498

IUPAC1-[(4-chlorophenyl)methyl]-1-cyclopentylurea
SMILESNC(=O)N(Cc1ccc(Cl)cc1)C1CCCC1
InChIInChI=1S/C13H17ClN2O/c14-11-7-5-10(6-8-11)9-16(13(15)17)12-3-1-2-4-12/h5-8,12H,1-4,9H2,(H2,15,17)
InChIKeyKVGVYLUYQOWTHY-UHFFFAOYSA-N
MW252.74 g/mol
LogP3.16
Rot. Bonds3

About 1-[(4-chlorophenyl)methyl]-1-cyclopentylurea

1-[(4-chlorophenyl)methyl]-1-cyclopentylurea (PubChem CID 67797498) has the molecular formula C13H17ClN2O and a molecular weight of 252.74 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methyl]-1-cyclopentylurea.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methyl]-1-cyclopentylurea
PubChem CID67797498
Molecular FormulaC13H17ClN2O
Molecular Weight252.74 g/mol
Exact Mass252.10
IUPAC Name1-[(4-chlorophenyl)methyl]-1-cyclopentylurea
SMILESNC(=O)N(Cc1ccc(Cl)cc1)C1CCCC1
InChIInChI=1S/C13H17ClN2O/c14-11-7-5-10(6-8-11)9-16(13(15)17)12-3-1-2-4-12/h5-8,12H,1-4,9H2,(H2,15,17)
InChIKeyKVGVYLUYQOWTHY-UHFFFAOYSA-N
XLogP3.16
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.74
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)methyl]-1-cyclopentylurea?
The IUPAC name of 1-[(4-chlorophenyl)methyl]-1-cyclopentylurea (CID 67797498) is 1-[(4-chlorophenyl)methyl]-1-cyclopentylurea.
What is the SMILES notation for 1-[(4-chlorophenyl)methyl]-1-cyclopentylurea?
The canonical SMILES for 1-[(4-chlorophenyl)methyl]-1-cyclopentylurea is NC(=O)N(Cc1ccc(Cl)cc1)C1CCCC1.
What is the InChIKey of 1-[(4-chlorophenyl)methyl]-1-cyclopentylurea?
The InChIKey is KVGVYLUYQOWTHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O/c14-11-7-5-10(6-8-11)9-16(13(15)17)12-3-1-2-4-12/h5-8,12H,1-4,9H2,(H2,15,17).
What are the key properties of 1-[(4-chlorophenyl)methyl]-1-cyclopentylurea?
1-[(4-chlorophenyl)methyl]-1-cyclopentylurea has a molecular weight of 252.74 g/mol, XLogP of 3.16, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)methyl]-1-cyclopentylurea is sourced from PubChem (CID 67797498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).