1-[1-(4-chlorophenyl)cyclopropyl]-3-(2-methylphenyl)urea

C17H17ClN2O — CID 113215464

IUPAC1-[1-(4-chlorophenyl)cyclopropyl]-3-(2-methylphenyl)urea
SMILESCc1ccccc1NC(=O)NC1(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C17H17ClN2O/c1-12-4-2-3-5-15(12)19-16(21)20-17(10-11-17)13-6-8-14(18)9-7-13/h2-9H,10-11H2,1H3,(H2,19,20,21)
InChIKeyXSHSHOZHCNCSEW-UHFFFAOYSA-N
MW300.79 g/mol
LogP4.46
Rot. Bonds3

About 1-[1-(4-chlorophenyl)cyclopropyl]-3-(2-methylphenyl)urea

1-[1-(4-chlorophenyl)cyclopropyl]-3-(2-methylphenyl)urea (PubChem CID 113215464) has the molecular formula C17H17ClN2O and a molecular weight of 300.79 g/mol. Its IUPAC name is 1-[1-(4-chlorophenyl)cyclopropyl]-3-(2-methylphenyl)urea.

Molecular Properties

Compound Name1-[1-(4-chlorophenyl)cyclopropyl]-3-(2-methylphenyl)urea
PubChem CID113215464
Molecular FormulaC17H17ClN2O
Molecular Weight300.79 g/mol
Exact Mass300.10
IUPAC Name1-[1-(4-chlorophenyl)cyclopropyl]-3-(2-methylphenyl)urea
SMILESCc1ccccc1NC(=O)NC1(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C17H17ClN2O/c1-12-4-2-3-5-15(12)19-16(21)20-17(10-11-17)13-6-8-14(18)9-7-13/h2-9H,10-11H2,1H3,(H2,19,20,21)
InChIKeyXSHSHOZHCNCSEW-UHFFFAOYSA-N
XLogP4.46
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.79
LogP ≤ 54.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

N-[1-(4-chlorophenyl)cyclopropyl]-2-methylbenzamide
CID 113091060
1-(2,3-dimethylphenyl)-3-[1-(4-methylphenyl)cyclopropyl]urea
CID 113215273
1-(2-bromo-4-methylphenyl)-3-[1-(4-chlorophenyl)cyclopropyl]urea
CID 113215529
1-(2,4-dichlorophenyl)-3-[1-(4-methylphenyl)cyclopropyl]urea
CID 113215347
1-(2-bromophenyl)-3-[1-(4-methylphenyl)cyclopropyl]urea
CID 113215331
1-(2,6-dimethylphenyl)-3-(1-phenylcyclopropyl)urea
CID 110469284
1-(4-chloro-2-methylphenyl)-3-(2-methylphenyl)urea
CID 108894172
methyl 4-chloro-3-[[1-(4-chlorophenyl)cyclopropyl]carbamoylamino]benzoate
CID 113215518
1-(2,4-dichlorophenyl)-3-(2-methylphenyl)urea
CID 6470856
1-[1-(4-methylphenyl)cyclopropyl]-3-(2-phenoxyphenyl)urea
CID 113215342
1-(3-chloro-2-methylphenyl)-3-(2-methylphenyl)urea
CID 19165606
N-[1-(4-chlorophenyl)cyclopropyl]-3-methylbenzamide
CID 110441479

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-chlorophenyl)cyclopropyl]-3-(2-methylphenyl)urea?
The IUPAC name of 1-[1-(4-chlorophenyl)cyclopropyl]-3-(2-methylphenyl)urea (CID 113215464) is 1-[1-(4-chlorophenyl)cyclopropyl]-3-(2-methylphenyl)urea.
What is the SMILES notation for 1-[1-(4-chlorophenyl)cyclopropyl]-3-(2-methylphenyl)urea?
The canonical SMILES for 1-[1-(4-chlorophenyl)cyclopropyl]-3-(2-methylphenyl)urea is Cc1ccccc1NC(=O)NC1(c2ccc(Cl)cc2)CC1.
What is the InChIKey of 1-[1-(4-chlorophenyl)cyclopropyl]-3-(2-methylphenyl)urea?
The InChIKey is XSHSHOZHCNCSEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2O/c1-12-4-2-3-5-15(12)19-16(21)20-17(10-11-17)13-6-8-14(18)9-7-13/h2-9H,10-11H2,1H3,(H2,19,20,21).
What are the key properties of 1-[1-(4-chlorophenyl)cyclopropyl]-3-(2-methylphenyl)urea?
1-[1-(4-chlorophenyl)cyclopropyl]-3-(2-methylphenyl)urea has a molecular weight of 300.79 g/mol, XLogP of 4.46, 3 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-(2-methylphenyl)urea is sourced from PubChem (CID 113215464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).