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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Related Compounds

N-[1-(4-chlorophenyl)cyclopropyl]butanamide
CID 113091058
1-[1-(4-chlorophenyl)cyclopropyl]-3-[2-(dimethylamino)ethyl]urea
CID 113215393
1-[4-[[butyl(methyl)carbamoyl]amino]phenyl]cyclopropane-1-carboxylic acid
CID 115914130
1-butyl-3-[1-(4-chlorophenoxy)ethyl]-1-methylurea
CID 108879927
N-[1-(4-chlorophenyl)cyclopropyl]-3-(dimethylamino)benzamide
CID 110444402
N-[1-(4-chlorophenyl)cyclopropyl]-2-methylbenzamide
CID 113091060
methyl 2-[methyl-[(1-phenylcyclopropyl)carbamoyl]amino]acetate
CID 110490764
1,1-dimethyl-3-(1-phenylcyclopropyl)urea
CID 11217964
1,1-diethyl-3-(1-phenylcyclopropyl)urea
CID 110445142
1-[1-(4-chlorophenyl)cyclopropyl]-3-(3-methylbutyl)urea
CID 113215454
N-[1-(4-chlorophenyl)cyclopropyl]-2-(1-hydroxycyclopentyl)acetamide
CID 111464638
4-N-butyl-1-N-(4-chlorophenyl)-4-N-methylcyclohexane-1,4-dicarboxamide
CID 109149934

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).