1-(4-chloro-2-methylphenyl)-3-cycloheptylurea

C15H21ClN2O — CID 47132649

IUPAC1-(4-chloro-2-methylphenyl)-3-cycloheptylurea
SMILESCc1cc(Cl)ccc1NC(=O)NC1CCCCCC1
InChIInChI=1S/C15H21ClN2O/c1-11-10-12(16)8-9-14(11)18-15(19)17-13-6-4-2-3-5-7-13/h8-10,13H,2-7H2,1H3,(H2,17,18,19)
InChIKeyJQYYLBBKJUCSCB-UHFFFAOYSA-N
MW280.80 g/mol
LogP4.49
Rot. Bonds2

About 1-(4-chloro-2-methylphenyl)-3-cycloheptylurea

1-(4-chloro-2-methylphenyl)-3-cycloheptylurea (PubChem CID 47132649) has the molecular formula C15H21ClN2O and a molecular weight of 280.80 g/mol. Its IUPAC name is 1-(4-chloro-2-methylphenyl)-3-cycloheptylurea.

Molecular Properties

Compound Name1-(4-chloro-2-methylphenyl)-3-cycloheptylurea
PubChem CID47132649
Molecular FormulaC15H21ClN2O
Molecular Weight280.80 g/mol
Exact Mass280.13
IUPAC Name1-(4-chloro-2-methylphenyl)-3-cycloheptylurea
SMILESCc1cc(Cl)ccc1NC(=O)NC1CCCCCC1
InChIInChI=1S/C15H21ClN2O/c1-11-10-12(16)8-9-14(11)18-15(19)17-13-6-4-2-3-5-7-13/h8-10,13H,2-7H2,1H3,(H2,17,18,19)
InChIKeyJQYYLBBKJUCSCB-UHFFFAOYSA-N
XLogP4.49
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.80
LogP ≤ 54.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-chloro-2-methylphenyl)-3-cyclohexylthiourea
CID 800427
1-(2-amino-4-chlorophenyl)-3-cyclohexylurea
CID 16771427
1-(5-chloro-2-fluorophenyl)-3-cyclohexylurea
CID 47103534
1-cyclopentyl-3-(2,5-dichlorophenyl)urea
CID 47192576
1-(5-chloro-2-methoxyphenyl)-3-cyclododecylurea
CID 108875500
3-N-(4-chloro-2-methylphenyl)-5-N-cyclohexylpyridine-3,5-dicarboxamide
CID 109103094
N-cyclopentyl-4-(cyclopropylcarbamoylamino)-3-methylbenzamide
CID 48645772
4-N-(4-chloro-2-methylphenyl)-2-N-cyclohexylpyridine-2,4-dicarboxamide
CID 109081597
1-cycloheptyl-3-(2-fluoro-4-methylphenyl)urea
CID 47132817
1-(3-chloro-4-methylphenyl)-3-cycloheptylurea
CID 73352041
1-cyclohexyl-3-(2-fluoro-4-methylphenyl)urea
CID 47103760
1-cyclohexyl-3-[2,5-dichloro-4-(cyclohexylcarbamoylamino)phenyl]urea
CID 4253311

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-2-methylphenyl)-3-cycloheptylurea?
The IUPAC name of 1-(4-chloro-2-methylphenyl)-3-cycloheptylurea (CID 47132649) is 1-(4-chloro-2-methylphenyl)-3-cycloheptylurea.
What is the SMILES notation for 1-(4-chloro-2-methylphenyl)-3-cycloheptylurea?
The canonical SMILES for 1-(4-chloro-2-methylphenyl)-3-cycloheptylurea is Cc1cc(Cl)ccc1NC(=O)NC1CCCCCC1.
What is the InChIKey of 1-(4-chloro-2-methylphenyl)-3-cycloheptylurea?
The InChIKey is JQYYLBBKJUCSCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O/c1-11-10-12(16)8-9-14(11)18-15(19)17-13-6-4-2-3-5-7-13/h8-10,13H,2-7H2,1H3,(H2,17,18,19).
What are the key properties of 1-(4-chloro-2-methylphenyl)-3-cycloheptylurea?
1-(4-chloro-2-methylphenyl)-3-cycloheptylurea has a molecular weight of 280.80 g/mol, XLogP of 4.49, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-2-methylphenyl)-3-cycloheptylurea is sourced from PubChem (CID 47132649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).