1-[2-(2,6-dichlorophenyl)ethyl]-3-(2-phenylcyclopropyl)urea

C18H18Cl2N2O — CID 3323199

IUPAC1-[2-(2,6-dichlorophenyl)ethyl]-3-(2-phenylcyclopropyl)urea
SMILESO=C(NCCc1c(Cl)cccc1Cl)NC1CC1c1ccccc1
InChIInChI=1S/C18H18Cl2N2O/c19-15-7-4-8-16(20)13(15)9-10-21-18(23)22-17-11-14(17)12-5-2-1-3-6-12/h1-8,14,17H,9-11H2,(H2,21,22,23)
InChIKeyDPDJSTAFEZEMKT-UHFFFAOYSA-N
MW349.26 g/mol
LogP4.39
Rot. Bonds5

About 1-[2-(2,6-dichlorophenyl)ethyl]-3-(2-phenylcyclopropyl)urea

1-[2-(2,6-dichlorophenyl)ethyl]-3-(2-phenylcyclopropyl)urea (PubChem CID 3323199) has the molecular formula C18H18Cl2N2O and a molecular weight of 349.26 g/mol. Its IUPAC name is 1-[2-(2,6-dichlorophenyl)ethyl]-3-(2-phenylcyclopropyl)urea.

Molecular Properties

Compound Name1-[2-(2,6-dichlorophenyl)ethyl]-3-(2-phenylcyclopropyl)urea
PubChem CID3323199
Molecular FormulaC18H18Cl2N2O
Molecular Weight349.26 g/mol
Exact Mass348.08
IUPAC Name1-[2-(2,6-dichlorophenyl)ethyl]-3-(2-phenylcyclopropyl)urea
SMILESO=C(NCCc1c(Cl)cccc1Cl)NC1CC1c1ccccc1
InChIInChI=1S/C18H18Cl2N2O/c19-15-7-4-8-16(20)13(15)9-10-21-18(23)22-17-11-14(17)12-5-2-1-3-6-12/h1-8,14,17H,9-11H2,(H2,21,22,23)
InChIKeyDPDJSTAFEZEMKT-UHFFFAOYSA-N
XLogP4.39
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.26
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-hydroxypropyl)-3-(2-phenylcyclopropyl)urea
CID 47764322
1-[2-(4-fluorophenyl)ethyl]-3-(2-phenylcyclopropyl)urea
CID 86843833
2-methyl-3-[(2-phenylcyclopropyl)carbamoylamino]propanoic acid
CID 55105274
1-(3,5-dichloro-4-hydroxyphenyl)-3-(2-phenylcyclopropyl)urea
CID 10404791
2-amino-3-chloro-N-(2-phenylcyclopropyl)benzamide
CID 115540566
1-(2-hydroxy-3,3-dimethylbutyl)-3-(2-phenylcyclopropyl)urea
CID 111338273
1-[2-(3-chlorophenyl)cyclopropyl]-3-(3-hydroxybutyl)urea
CID 111456067
2,2-dimethyl-3-[[(1S,2R)-2-phenylcyclopropyl]carbamoylamino]propanamide
CID 95583258
1-[(1S,2R)-2-(4-chlorophenyl)cyclopropyl]-3-(2-methoxyethyl)urea
CID 97211780
1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-[(1R,2R)-2-phenylcyclopropyl]urea
CID 95302935
1-[(1S,2R)-2-(3-chlorophenyl)cyclopropyl]-3-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]urea
CID 97030496
N-[(1R,2R)-2-phenylcyclopropyl]acetamide
CID 6954168

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,6-dichlorophenyl)ethyl]-3-(2-phenylcyclopropyl)urea?
The IUPAC name of 1-[2-(2,6-dichlorophenyl)ethyl]-3-(2-phenylcyclopropyl)urea (CID 3323199) is 1-[2-(2,6-dichlorophenyl)ethyl]-3-(2-phenylcyclopropyl)urea.
What is the SMILES notation for 1-[2-(2,6-dichlorophenyl)ethyl]-3-(2-phenylcyclopropyl)urea?
The canonical SMILES for 1-[2-(2,6-dichlorophenyl)ethyl]-3-(2-phenylcyclopropyl)urea is O=C(NCCc1c(Cl)cccc1Cl)NC1CC1c1ccccc1.
What is the InChIKey of 1-[2-(2,6-dichlorophenyl)ethyl]-3-(2-phenylcyclopropyl)urea?
The InChIKey is DPDJSTAFEZEMKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18Cl2N2O/c19-15-7-4-8-16(20)13(15)9-10-21-18(23)22-17-11-14(17)12-5-2-1-3-6-12/h1-8,14,17H,9-11H2,(H2,21,22,23).
What are the key properties of 1-[2-(2,6-dichlorophenyl)ethyl]-3-(2-phenylcyclopropyl)urea?
1-[2-(2,6-dichlorophenyl)ethyl]-3-(2-phenylcyclopropyl)urea has a molecular weight of 349.26 g/mol, XLogP of 4.39, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,6-dichlorophenyl)ethyl]-3-(2-phenylcyclopropyl)urea is sourced from PubChem (CID 3323199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).