1-butyl-3-[1-(4-chlorophenyl)cyclopropyl]-1-methylurea

C15H21ClN2O — CID 113215456

IUPAC1-butyl-3-[1-(4-chlorophenyl)cyclopropyl]-1-methylurea
SMILESCCCCN(C)C(=O)NC1(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C15H21ClN2O/c1-3-4-11-18(2)14(19)17-15(9-10-15)12-5-7-13(16)8-6-12/h5-8H,3-4,9-11H2,1-2H3,(H,17,19)
InChIKeyHFFAMCVLMSFLGJ-UHFFFAOYSA-N
MW280.80 g/mol
LogP3.77
Rot. Bonds5

About 1-butyl-3-[1-(4-chlorophenyl)cyclopropyl]-1-methylurea

1-butyl-3-[1-(4-chlorophenyl)cyclopropyl]-1-methylurea (PubChem CID 113215456) has the molecular formula C15H21ClN2O and a molecular weight of 280.80 g/mol. Its IUPAC name is 1-butyl-3-[1-(4-chlorophenyl)cyclopropyl]-1-methylurea.

Molecular Properties

Compound Name1-butyl-3-[1-(4-chlorophenyl)cyclopropyl]-1-methylurea
PubChem CID113215456
Molecular FormulaC15H21ClN2O
Molecular Weight280.80 g/mol
Exact Mass280.13
IUPAC Name1-butyl-3-[1-(4-chlorophenyl)cyclopropyl]-1-methylurea
SMILESCCCCN(C)C(=O)NC1(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C15H21ClN2O/c1-3-4-11-18(2)14(19)17-15(9-10-15)12-5-7-13(16)8-6-12/h5-8H,3-4,9-11H2,1-2H3,(H,17,19)
InChIKeyHFFAMCVLMSFLGJ-UHFFFAOYSA-N
XLogP3.77
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.80
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-butyl-3-[1-(4-chlorophenyl)cyclopropyl]-1-methylurea?
The IUPAC name of 1-butyl-3-[1-(4-chlorophenyl)cyclopropyl]-1-methylurea (CID 113215456) is 1-butyl-3-[1-(4-chlorophenyl)cyclopropyl]-1-methylurea.
What is the SMILES notation for 1-butyl-3-[1-(4-chlorophenyl)cyclopropyl]-1-methylurea?
The canonical SMILES for 1-butyl-3-[1-(4-chlorophenyl)cyclopropyl]-1-methylurea is CCCCN(C)C(=O)NC1(c2ccc(Cl)cc2)CC1.
What is the InChIKey of 1-butyl-3-[1-(4-chlorophenyl)cyclopropyl]-1-methylurea?
The InChIKey is HFFAMCVLMSFLGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O/c1-3-4-11-18(2)14(19)17-15(9-10-15)12-5-7-13(16)8-6-12/h5-8H,3-4,9-11H2,1-2H3,(H,17,19).
What are the key properties of 1-butyl-3-[1-(4-chlorophenyl)cyclopropyl]-1-methylurea?
1-butyl-3-[1-(4-chlorophenyl)cyclopropyl]-1-methylurea has a molecular weight of 280.80 g/mol, XLogP of 3.77, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-3-[1-(4-chlorophenyl)cyclopropyl]-1-methylurea is sourced from PubChem (CID 113215456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).