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

C17H16Cl2N2O — CID 113215347

IUPAC1-(2,4-dichlorophenyl)-3-[1-(4-methylphenyl)cyclopropyl]urea
SMILESCc1ccc(C2(NC(=O)Nc3ccc(Cl)cc3Cl)CC2)cc1
InChIInChI=1S/C17H16Cl2N2O/c1-11-2-4-12(5-3-11)17(8-9-17)21-16(22)20-15-7-6-13(18)10-14(15)19/h2-7,10H,8-9H2,1H3,(H2,20,21,22)
InChIKeyAUPQXMDHBYNZQP-UHFFFAOYSA-N
MW335.23 g/mol
LogP5.11
Rot. Bonds3

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

1-(2,4-dichlorophenyl)-3-[1-(4-methylphenyl)cyclopropyl]urea (PubChem CID 113215347) has the molecular formula C17H16Cl2N2O and a molecular weight of 335.23 g/mol. Its IUPAC name is 1-(2,4-dichlorophenyl)-3-[1-(4-methylphenyl)cyclopropyl]urea.

Molecular Properties

Compound Name1-(2,4-dichlorophenyl)-3-[1-(4-methylphenyl)cyclopropyl]urea
PubChem CID113215347
Molecular FormulaC17H16Cl2N2O
Molecular Weight335.23 g/mol
Exact Mass334.06
IUPAC Name1-(2,4-dichlorophenyl)-3-[1-(4-methylphenyl)cyclopropyl]urea
SMILESCc1ccc(C2(NC(=O)Nc3ccc(Cl)cc3Cl)CC2)cc1
InChIInChI=1S/C17H16Cl2N2O/c1-11-2-4-12(5-3-11)17(8-9-17)21-16(22)20-15-7-6-13(18)10-14(15)19/h2-7,10H,8-9H2,1H3,(H2,20,21,22)
InChIKeyAUPQXMDHBYNZQP-UHFFFAOYSA-N
XLogP5.11
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.23
LogP ≤ 55.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-bromo-4-methylphenyl)-3-[1-(4-chlorophenyl)cyclopropyl]urea
CID 113215529
1-[1-(4-chlorophenyl)cyclopropyl]-3-(2-methylphenyl)urea
CID 113215464
4-[4-[1-[(2,4-dichlorophenyl)carbamoylamino]cyclopropyl]phenoxy]-N-methylpyridine-2-carboxamide
CID 10412466
1-(2-bromophenyl)-3-[1-(4-methylphenyl)cyclopropyl]urea
CID 113215331
1-(2,3-dimethylphenyl)-3-[1-(4-methylphenyl)cyclopropyl]urea
CID 113215273
1-[(2,4-dichlorophenyl)carbamoylamino]cyclobutane-1-carboxylic acid
CID 81160963
1-(2,4-dichlorophenyl)-3-(3,5-dimethylphenyl)urea
CID 27036650
methyl 4-chloro-3-[[1-(4-chlorophenyl)cyclopropyl]carbamoylamino]benzoate
CID 113215518
1-(2,4-dichlorophenyl)-3-hydroxyurea
CID 4295489
1-(4-bromophenyl)-3-[1-(4-methylphenyl)cyclopropyl]urea
CID 113215296
1-(2,4-dichlorophenyl)-3-[3-(4-methylphenyl)-3-oxopropyl]urea
CID 108874450
1-(2,4-dichlorophenyl)-3-(2-methylphenyl)urea
CID 6470856

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dichlorophenyl)-3-[1-(4-methylphenyl)cyclopropyl]urea?
The IUPAC name of 1-(2,4-dichlorophenyl)-3-[1-(4-methylphenyl)cyclopropyl]urea (CID 113215347) is 1-(2,4-dichlorophenyl)-3-[1-(4-methylphenyl)cyclopropyl]urea.
What is the SMILES notation for 1-(2,4-dichlorophenyl)-3-[1-(4-methylphenyl)cyclopropyl]urea?
The canonical SMILES for 1-(2,4-dichlorophenyl)-3-[1-(4-methylphenyl)cyclopropyl]urea is Cc1ccc(C2(NC(=O)Nc3ccc(Cl)cc3Cl)CC2)cc1.
What is the InChIKey of 1-(2,4-dichlorophenyl)-3-[1-(4-methylphenyl)cyclopropyl]urea?
The InChIKey is AUPQXMDHBYNZQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16Cl2N2O/c1-11-2-4-12(5-3-11)17(8-9-17)21-16(22)20-15-7-6-13(18)10-14(15)19/h2-7,10H,8-9H2,1H3,(H2,20,21,22).
What are the key properties of 1-(2,4-dichlorophenyl)-3-[1-(4-methylphenyl)cyclopropyl]urea?
1-(2,4-dichlorophenyl)-3-[1-(4-methylphenyl)cyclopropyl]urea has a molecular weight of 335.23 g/mol, XLogP of 5.11, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dichlorophenyl)-3-[1-(4-methylphenyl)cyclopropyl]urea is sourced from PubChem (CID 113215347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).