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

C15H21ClN2O — CID 73352041

IUPAC1-(3-chloro-4-methylphenyl)-3-cycloheptylurea
SMILESCc1ccc(NC(=O)NC2CCCCCC2)cc1Cl
InChIInChI=1S/C15H21ClN2O/c1-11-8-9-13(10-14(11)16)18-15(19)17-12-6-4-2-3-5-7-12/h8-10,12H,2-7H2,1H3,(H2,17,18,19)
InChIKeyDYCZSJSRYDKEAZ-UHFFFAOYSA-N
MW280.80 g/mol
LogP4.49
Rot. Bonds2

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

1-(3-chloro-4-methylphenyl)-3-cycloheptylurea (PubChem CID 73352041) has the molecular formula C15H21ClN2O and a molecular weight of 280.80 g/mol. Its IUPAC name is 1-(3-chloro-4-methylphenyl)-3-cycloheptylurea.

Molecular Properties

Compound Name1-(3-chloro-4-methylphenyl)-3-cycloheptylurea
PubChem CID73352041
Molecular FormulaC15H21ClN2O
Molecular Weight280.80 g/mol
Exact Mass280.13
IUPAC Name1-(3-chloro-4-methylphenyl)-3-cycloheptylurea
SMILESCc1ccc(NC(=O)NC2CCCCCC2)cc1Cl
InChIInChI=1S/C15H21ClN2O/c1-11-8-9-13(10-14(11)16)18-15(19)17-12-6-4-2-3-5-7-12/h8-10,12H,2-7H2,1H3,(H2,17,18,19)
InChIKeyDYCZSJSRYDKEAZ-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

Analyze 1-(3-chloro-4-methylphenyl)-3-cycloheptylurea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3-chloro-4-methylphenyl)-3-cyclopropylurea
CID 6469220
N'-(3-chloro-4-methylphenyl)-N-cycloheptylpropanediamide
CID 108951589
1-(3-chloro-4-methylphenyl)-3-piperidin-3-ylurea
CID 63321445
2-chloro-N-cyclohexyl-5-(cyclohexylcarbamoylamino)benzamide
CID 17188470
1-(3-chloro-4-methylphenyl)-3-(1-propan-2-ylpiperidin-4-yl)urea
CID 24528836
N-(3-chloro-4-methylphenyl)-N'-cycloheptyl-2,2-dimethylpropanediamide
CID 108966110
1-(3-amino-4-chlorophenyl)-3-cyclohexylurea
CID 16776834
1-cyclopentyl-3-[3-(dimethylamino)-4-methylphenyl]urea
CID 116656999
1-(4-chlorophenyl)-3-cyclododecylurea
CID 19165021
1-(4-chloro-2-methylphenyl)-3-cycloheptylurea
CID 47132649
N-(3-chloro-4-methylphenyl)cyclododecanamine
CID 63418759
1-[3-chloro-4-(difluoromethoxy)phenyl]-3-cyclohexylurea
CID 17269947

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-methylphenyl)-3-cycloheptylurea?
The IUPAC name of 1-(3-chloro-4-methylphenyl)-3-cycloheptylurea (CID 73352041) is 1-(3-chloro-4-methylphenyl)-3-cycloheptylurea.
What is the SMILES notation for 1-(3-chloro-4-methylphenyl)-3-cycloheptylurea?
The canonical SMILES for 1-(3-chloro-4-methylphenyl)-3-cycloheptylurea is Cc1ccc(NC(=O)NC2CCCCCC2)cc1Cl.
What is the InChIKey of 1-(3-chloro-4-methylphenyl)-3-cycloheptylurea?
The InChIKey is DYCZSJSRYDKEAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O/c1-11-8-9-13(10-14(11)16)18-15(19)17-12-6-4-2-3-5-7-12/h8-10,12H,2-7H2,1H3,(H2,17,18,19).
What are the key properties of 1-(3-chloro-4-methylphenyl)-3-cycloheptylurea?
1-(3-chloro-4-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-(3-chloro-4-methylphenyl)-3-cycloheptylurea is sourced from PubChem (CID 73352041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).