1-[1-(4-chlorophenyl)cyclopropyl]-3-(3-methylbutyl)urea

C15H21ClN2O — CID 113215454

IUPAC1-[1-(4-chlorophenyl)cyclopropyl]-3-(3-methylbutyl)urea
SMILESCC(C)CCNC(=O)NC1(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C15H21ClN2O/c1-11(2)7-10-17-14(19)18-15(8-9-15)12-3-5-13(16)6-4-12/h3-6,11H,7-10H2,1-2H3,(H2,17,18,19)
InChIKeyZCPIKDBVUDJYJF-UHFFFAOYSA-N
MW280.80 g/mol
LogP3.67
Rot. Bonds5

About 1-[1-(4-chlorophenyl)cyclopropyl]-3-(3-methylbutyl)urea

1-[1-(4-chlorophenyl)cyclopropyl]-3-(3-methylbutyl)urea (PubChem CID 113215454) has the molecular formula C15H21ClN2O and a molecular weight of 280.80 g/mol. Its IUPAC name is 1-[1-(4-chlorophenyl)cyclopropyl]-3-(3-methylbutyl)urea.

Molecular Properties

Compound Name1-[1-(4-chlorophenyl)cyclopropyl]-3-(3-methylbutyl)urea
PubChem CID113215454
Molecular FormulaC15H21ClN2O
Molecular Weight280.80 g/mol
Exact Mass280.13
IUPAC Name1-[1-(4-chlorophenyl)cyclopropyl]-3-(3-methylbutyl)urea
SMILESCC(C)CCNC(=O)NC1(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C15H21ClN2O/c1-11(2)7-10-17-14(19)18-15(8-9-15)12-3-5-13(16)6-4-12/h3-6,11H,7-10H2,1-2H3,(H2,17,18,19)
InChIKeyZCPIKDBVUDJYJF-UHFFFAOYSA-N
XLogP3.67
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.80
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-chlorophenyl)cyclopropyl]-3-(3-methylbutyl)urea?
The IUPAC name of 1-[1-(4-chlorophenyl)cyclopropyl]-3-(3-methylbutyl)urea (CID 113215454) is 1-[1-(4-chlorophenyl)cyclopropyl]-3-(3-methylbutyl)urea.
What is the SMILES notation for 1-[1-(4-chlorophenyl)cyclopropyl]-3-(3-methylbutyl)urea?
The canonical SMILES for 1-[1-(4-chlorophenyl)cyclopropyl]-3-(3-methylbutyl)urea is CC(C)CCNC(=O)NC1(c2ccc(Cl)cc2)CC1.
What is the InChIKey of 1-[1-(4-chlorophenyl)cyclopropyl]-3-(3-methylbutyl)urea?
The InChIKey is ZCPIKDBVUDJYJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O/c1-11(2)7-10-17-14(19)18-15(8-9-15)12-3-5-13(16)6-4-12/h3-6,11H,7-10H2,1-2H3,(H2,17,18,19).
What are the key properties of 1-[1-(4-chlorophenyl)cyclopropyl]-3-(3-methylbutyl)urea?
1-[1-(4-chlorophenyl)cyclopropyl]-3-(3-methylbutyl)urea has a molecular weight of 280.80 g/mol, XLogP of 3.67, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-chlorophenyl)cyclopropyl]-3-(3-methylbutyl)urea is sourced from PubChem (CID 113215454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).