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

C19H20Cl2N2O — CID 113214484

IUPAC1-[[1-(4-chlorophenyl)cyclopropyl]methyl]-3-[2-(3-chlorophenyl)ethyl]urea
SMILESO=C(NCCc1cccc(Cl)c1)NCC1(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C19H20Cl2N2O/c20-16-6-4-15(5-7-16)19(9-10-19)13-23-18(24)22-11-8-14-2-1-3-17(21)12-14/h1-7,12H,8-11,13H2,(H2,22,23,24)
InChIKeyFMBJFVABHGNJJO-UHFFFAOYSA-N
MW363.29 g/mol
LogP4.57
Rot. Bonds6

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

1-[[1-(4-chlorophenyl)cyclopropyl]methyl]-3-[2-(3-chlorophenyl)ethyl]urea (PubChem CID 113214484) has the molecular formula C19H20Cl2N2O and a molecular weight of 363.29 g/mol. Its IUPAC name is 1-[[1-(4-chlorophenyl)cyclopropyl]methyl]-3-[2-(3-chlorophenyl)ethyl]urea.

Molecular Properties

Compound Name1-[[1-(4-chlorophenyl)cyclopropyl]methyl]-3-[2-(3-chlorophenyl)ethyl]urea
PubChem CID113214484
Molecular FormulaC19H20Cl2N2O
Molecular Weight363.29 g/mol
Exact Mass362.10
IUPAC Name1-[[1-(4-chlorophenyl)cyclopropyl]methyl]-3-[2-(3-chlorophenyl)ethyl]urea
SMILESO=C(NCCc1cccc(Cl)c1)NCC1(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C19H20Cl2N2O/c20-16-6-4-15(5-7-16)19(9-10-19)13-23-18(24)22-11-8-14-2-1-3-17(21)12-14/h1-7,12H,8-11,13H2,(H2,22,23,24)
InChIKeyFMBJFVABHGNJJO-UHFFFAOYSA-N
XLogP4.57
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.29
LogP ≤ 54.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-[1-(4-chlorophenyl)cyclopropyl]-3-[2-(3-chlorophenyl)ethyl]urea
CID 113215461
1-[2-(3-chlorophenyl)ethyl]-3-[(3-hydroxythiolan-3-yl)methyl]urea
CID 111618399
1-[2-(3-methoxyphenyl)ethyl]-3-[(1-phenylcyclopropyl)methyl]urea
CID 113213849
1-[[1-(4-chlorophenyl)cyclopropyl]methyl]-3-[2-(1H-indol-3-yl)ethyl]urea
CID 113214463
1-[[1-(4-chlorophenyl)cyclopropyl]methyl]-3-[2-(2-methoxyphenyl)ethyl]urea
CID 113214456
1-N-[2-(3-chlorophenyl)ethyl]-1-N'-[(4-chlorophenyl)methyl]cyclopropane-1,1-dicarboxamide
CID 108976073
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,N'-bis[2-(3-chlorophenyl)ethyl]butanediamide
CID 2166305
2-(3-chlorophenyl)ethylurea
CID 127513466
1-[[1-(3-chlorophenyl)cyclopropyl]methyl]-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea
CID 111618958
1-[2-(3-chlorophenyl)ethyl]-3-[2-(2-hydroxyethoxy)ethyl]urea
CID 108901434

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(4-chlorophenyl)cyclopropyl]methyl]-3-[2-(3-chlorophenyl)ethyl]urea?
The IUPAC name of 1-[[1-(4-chlorophenyl)cyclopropyl]methyl]-3-[2-(3-chlorophenyl)ethyl]urea (CID 113214484) is 1-[[1-(4-chlorophenyl)cyclopropyl]methyl]-3-[2-(3-chlorophenyl)ethyl]urea.
What is the SMILES notation for 1-[[1-(4-chlorophenyl)cyclopropyl]methyl]-3-[2-(3-chlorophenyl)ethyl]urea?
The canonical SMILES for 1-[[1-(4-chlorophenyl)cyclopropyl]methyl]-3-[2-(3-chlorophenyl)ethyl]urea is O=C(NCCc1cccc(Cl)c1)NCC1(c2ccc(Cl)cc2)CC1.
What is the InChIKey of 1-[[1-(4-chlorophenyl)cyclopropyl]methyl]-3-[2-(3-chlorophenyl)ethyl]urea?
The InChIKey is FMBJFVABHGNJJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20Cl2N2O/c20-16-6-4-15(5-7-16)19(9-10-19)13-23-18(24)22-11-8-14-2-1-3-17(21)12-14/h1-7,12H,8-11,13H2,(H2,22,23,24).
What are the key properties of 1-[[1-(4-chlorophenyl)cyclopropyl]methyl]-3-[2-(3-chlorophenyl)ethyl]urea?
1-[[1-(4-chlorophenyl)cyclopropyl]methyl]-3-[2-(3-chlorophenyl)ethyl]urea has a molecular weight of 363.29 g/mol, XLogP of 4.57, 6 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]methyl]-3-[2-(3-chlorophenyl)ethyl]urea is sourced from PubChem (CID 113214484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).