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

C18H18Cl2N2O — CID 113215461

IUPAC1-[1-(4-chlorophenyl)cyclopropyl]-3-[2-(3-chlorophenyl)ethyl]urea
SMILESO=C(NCCc1cccc(Cl)c1)NC1(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C18H18Cl2N2O/c19-15-6-4-14(5-7-15)18(9-10-18)22-17(23)21-11-8-13-2-1-3-16(20)12-13/h1-7,12H,8-11H2,(H2,21,22,23)
InChIKeyTYNUQUQIHKOSKK-UHFFFAOYSA-N
MW349.26 g/mol
LogP4.52
Rot. Bonds5

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

1-[1-(4-chlorophenyl)cyclopropyl]-3-[2-(3-chlorophenyl)ethyl]urea (PubChem CID 113215461) has the molecular formula C18H18Cl2N2O and a molecular weight of 349.26 g/mol. Its IUPAC name is 1-[1-(4-chlorophenyl)cyclopropyl]-3-[2-(3-chlorophenyl)ethyl]urea.

Molecular Properties

Compound Name1-[1-(4-chlorophenyl)cyclopropyl]-3-[2-(3-chlorophenyl)ethyl]urea
PubChem CID113215461
Molecular FormulaC18H18Cl2N2O
Molecular Weight349.26 g/mol
Exact Mass348.08
IUPAC Name1-[1-(4-chlorophenyl)cyclopropyl]-3-[2-(3-chlorophenyl)ethyl]urea
SMILESO=C(NCCc1cccc(Cl)c1)NC1(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C18H18Cl2N2O/c19-15-6-4-14(5-7-15)18(9-10-18)22-17(23)21-11-8-13-2-1-3-16(20)12-13/h1-7,12H,8-11H2,(H2,21,22,23)
InChIKeyTYNUQUQIHKOSKK-UHFFFAOYSA-N
XLogP4.52
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 ≤ 54.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-[[1-(4-chlorophenyl)cyclopropyl]methyl]-3-[2-(3-chlorophenyl)ethyl]urea
CID 113214484
1-(1-adamantyl)-3-[2-(3-chlorophenyl)ethyl]urea
CID 108896104
1-[1-(4-chlorophenyl)cyclopropyl]-3-(3-methylbutyl)urea
CID 113215454
1-N-[2-(3-chlorophenyl)ethyl]-1-N'-[(4-chlorophenyl)methyl]cyclopropane-1,1-dicarboxamide
CID 108976073
4-[[1-(3-chlorophenyl)cyclopropyl]carbamoylamino]butanoic acid
CID 122023166
1-[2-(3-chlorophenyl)ethyl]-3-[(3-hydroxythiolan-3-yl)methyl]urea
CID 111618399
N,N'-bis[2-(3-chlorophenyl)ethyl]butanediamide
CID 2166305
2-(3-chlorophenyl)ethylurea
CID 127513466
1-[[3-(aminomethyl)phenyl]methyl]-3-[2-(3-chlorophenyl)ethyl]urea
CID 108901405
1-[2-(3-chlorophenyl)ethyl]-3-(2-cyanoethyl)urea
CID 108901546
N-[2-(3-chlorophenyl)ethyl]-2-methylpropanamide
CID 4249207
1-[2-(3-chlorophenyl)ethyl]-3-(3,4-difluorophenyl)urea
CID 108991013

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-chlorophenyl)cyclopropyl]-3-[2-(3-chlorophenyl)ethyl]urea?
The IUPAC name of 1-[1-(4-chlorophenyl)cyclopropyl]-3-[2-(3-chlorophenyl)ethyl]urea (CID 113215461) is 1-[1-(4-chlorophenyl)cyclopropyl]-3-[2-(3-chlorophenyl)ethyl]urea.
What is the SMILES notation for 1-[1-(4-chlorophenyl)cyclopropyl]-3-[2-(3-chlorophenyl)ethyl]urea?
The canonical SMILES for 1-[1-(4-chlorophenyl)cyclopropyl]-3-[2-(3-chlorophenyl)ethyl]urea is O=C(NCCc1cccc(Cl)c1)NC1(c2ccc(Cl)cc2)CC1.
What is the InChIKey of 1-[1-(4-chlorophenyl)cyclopropyl]-3-[2-(3-chlorophenyl)ethyl]urea?
The InChIKey is TYNUQUQIHKOSKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18Cl2N2O/c19-15-6-4-14(5-7-15)18(9-10-18)22-17(23)21-11-8-13-2-1-3-16(20)12-13/h1-7,12H,8-11H2,(H2,21,22,23).
What are the key properties of 1-[1-(4-chlorophenyl)cyclopropyl]-3-[2-(3-chlorophenyl)ethyl]urea?
1-[1-(4-chlorophenyl)cyclopropyl]-3-[2-(3-chlorophenyl)ethyl]urea has a molecular weight of 349.26 g/mol, XLogP of 4.52, 5 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-(3-chlorophenyl)ethyl]urea is sourced from PubChem (CID 113215461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).