1-(7-chloro-2-ethyl-3-methyl-1-benzofuran-5-yl)-3-(2-morpholin-4-ylethyl)urea

C18H24ClN3O3 — CID 118789628

IUPAC1-(7-chloro-2-ethyl-3-methyl-1-benzofuran-5-yl)-3-(2-morpholin-4-ylethyl)urea
SMILESCCc1oc2c(Cl)cc(NC(=O)NCCN3CCOCC3)cc2c1C
InChIInChI=1S/C18H24ClN3O3/c1-3-16-12(2)14-10-13(11-15(19)17(14)25-16)21-18(23)20-4-5-22-6-8-24-9-7-22/h10-11H,3-9H2,1-2H3,(H2,20,21,23)
InChIKeyJCMOOZPVORKXHS-UHFFFAOYSA-N
MW365.86 g/mol
LogP3.41
Rot. Bonds5

About 1-(7-chloro-2-ethyl-3-methyl-1-benzofuran-5-yl)-3-(2-morpholin-4-ylethyl)urea

1-(7-chloro-2-ethyl-3-methyl-1-benzofuran-5-yl)-3-(2-morpholin-4-ylethyl)urea (PubChem CID 118789628) has the molecular formula C18H24ClN3O3 and a molecular weight of 365.86 g/mol. Its IUPAC name is 1-(7-chloro-2-ethyl-3-methyl-1-benzofuran-5-yl)-3-(2-morpholin-4-ylethyl)urea.

Molecular Properties

Compound Name1-(7-chloro-2-ethyl-3-methyl-1-benzofuran-5-yl)-3-(2-morpholin-4-ylethyl)urea
PubChem CID118789628
Molecular FormulaC18H24ClN3O3
Molecular Weight365.86 g/mol
Exact Mass365.15
IUPAC Name1-(7-chloro-2-ethyl-3-methyl-1-benzofuran-5-yl)-3-(2-morpholin-4-ylethyl)urea
SMILESCCc1oc2c(Cl)cc(NC(=O)NCCN3CCOCC3)cc2c1C
InChIInChI=1S/C18H24ClN3O3/c1-3-16-12(2)14-10-13(11-15(19)17(14)25-16)21-18(23)20-4-5-22-6-8-24-9-7-22/h10-11H,3-9H2,1-2H3,(H2,20,21,23)
InChIKeyJCMOOZPVORKXHS-UHFFFAOYSA-N
XLogP3.41
TPSA66.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.86
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-chloro-4-methylphenyl)-3-(2-morpholin-4-ylethyl)urea
CID 3579443
1-(3,5-dichloro-4-hydroxyphenyl)-3-(2-morpholin-4-ylethyl)urea
CID 22932427
1-(3,5-dimethoxyphenyl)-3-(2-morpholin-4-ylethyl)urea
CID 16645776
1-(3,5-difluoro-4-methoxyphenyl)-3-(2-morpholin-4-ylethyl)urea
CID 60543377
1-(3-morpholin-4-ylpropyl)-3-(3,4,5-triethoxyphenyl)urea
CID 108869740
1-[3-(1-aminoethyl)phenyl]-3-(2-morpholin-4-ylethyl)urea
CID 61339652
N'-(3,5-dichlorophenyl)-N-(2-morpholin-4-ylethyl)propanediamide
CID 108944127
1-(2-morpholin-4-ylethyl)-3-propylurea
CID 4583080
1-(2-morpholin-4-ylethyl)-3-[2-[[4-(2-oxopropyl)phenyl]carbamoylamino]ethyl]urea
CID 158422773
2-[(3-bromo-4-methylphenyl)carbamoylamino]-N-(2-morpholin-4-ylethyl)acetamide
CID 110305506
1-(4-bromophenyl)-3-(4-morpholin-4-ylbutyl)urea
CID 46831361
1-(2-tert-butyl-1,3-dioxoisoindol-5-yl)-3-(2-morpholin-4-ylethyl)urea
CID 108873272

Frequently Asked Questions

What is the IUPAC name of 1-(7-chloro-2-ethyl-3-methyl-1-benzofuran-5-yl)-3-(2-morpholin-4-ylethyl)urea?
The IUPAC name of 1-(7-chloro-2-ethyl-3-methyl-1-benzofuran-5-yl)-3-(2-morpholin-4-ylethyl)urea (CID 118789628) is 1-(7-chloro-2-ethyl-3-methyl-1-benzofuran-5-yl)-3-(2-morpholin-4-ylethyl)urea.
What is the SMILES notation for 1-(7-chloro-2-ethyl-3-methyl-1-benzofuran-5-yl)-3-(2-morpholin-4-ylethyl)urea?
The canonical SMILES for 1-(7-chloro-2-ethyl-3-methyl-1-benzofuran-5-yl)-3-(2-morpholin-4-ylethyl)urea is CCc1oc2c(Cl)cc(NC(=O)NCCN3CCOCC3)cc2c1C.
What is the InChIKey of 1-(7-chloro-2-ethyl-3-methyl-1-benzofuran-5-yl)-3-(2-morpholin-4-ylethyl)urea?
The InChIKey is JCMOOZPVORKXHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24ClN3O3/c1-3-16-12(2)14-10-13(11-15(19)17(14)25-16)21-18(23)20-4-5-22-6-8-24-9-7-22/h10-11H,3-9H2,1-2H3,(H2,20,21,23).
What are the key properties of 1-(7-chloro-2-ethyl-3-methyl-1-benzofuran-5-yl)-3-(2-morpholin-4-ylethyl)urea?
1-(7-chloro-2-ethyl-3-methyl-1-benzofuran-5-yl)-3-(2-morpholin-4-ylethyl)urea has a molecular weight of 365.86 g/mol, XLogP of 3.41, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-chloro-2-ethyl-3-methyl-1-benzofuran-5-yl)-3-(2-morpholin-4-ylethyl)urea is sourced from PubChem (CID 118789628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).