1-(5-chloro-2-morpholin-4-ylphenyl)-3-(2,3-dihydro-1-benzofuran-2-ylmethyl)urea

C20H22ClN3O3 — CID 55695180

IUPAC1-(5-chloro-2-morpholin-4-ylphenyl)-3-(2,3-dihydro-1-benzofuran-2-ylmethyl)urea
SMILESO=C(NCC1Cc2ccccc2O1)Nc1cc(Cl)ccc1N1CCOCC1
InChIInChI=1S/C20H22ClN3O3/c21-15-5-6-18(24-7-9-26-10-8-24)17(12-15)23-20(25)22-13-16-11-14-3-1-2-4-19(14)27-16/h1-6,12,16H,7-11,13H2,(H2,22,23,25)
InChIKeyJURAYIXCEIBTBS-UHFFFAOYSA-N
MW387.87 g/mol
LogP3.30
Rot. Bonds4

About 1-(5-chloro-2-morpholin-4-ylphenyl)-3-(2,3-dihydro-1-benzofuran-2-ylmethyl)urea

1-(5-chloro-2-morpholin-4-ylphenyl)-3-(2,3-dihydro-1-benzofuran-2-ylmethyl)urea (PubChem CID 55695180) has the molecular formula C20H22ClN3O3 and a molecular weight of 387.87 g/mol. Its IUPAC name is 1-(5-chloro-2-morpholin-4-ylphenyl)-3-(2,3-dihydro-1-benzofuran-2-ylmethyl)urea.

Molecular Properties

Compound Name1-(5-chloro-2-morpholin-4-ylphenyl)-3-(2,3-dihydro-1-benzofuran-2-ylmethyl)urea
PubChem CID55695180
Molecular FormulaC20H22ClN3O3
Molecular Weight387.87 g/mol
Exact Mass387.13
IUPAC Name1-(5-chloro-2-morpholin-4-ylphenyl)-3-(2,3-dihydro-1-benzofuran-2-ylmethyl)urea
SMILESO=C(NCC1Cc2ccccc2O1)Nc1cc(Cl)ccc1N1CCOCC1
InChIInChI=1S/C20H22ClN3O3/c21-15-5-6-18(24-7-9-26-10-8-24)17(12-15)23-20(25)22-13-16-11-14-3-1-2-4-19(14)27-16/h1-6,12,16H,7-11,13H2,(H2,22,23,25)
InChIKeyJURAYIXCEIBTBS-UHFFFAOYSA-N
XLogP3.30
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.87
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-benzyl-3-(5-chloro-2-morpholin-4-ylphenyl)urea
CID 51242905
1-(5-chloro-2-morpholin-4-ylphenyl)-3-propylurea
CID 47103076
N-(5-chloro-2-morpholin-4-ylphenyl)-2-hydroxy-2-phenylacetamide
CID 111536320
(2R)-N-(5-chloro-2-piperidin-1-ylphenyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 26707711
N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 18090179
3-[(5-chloro-2-morpholin-4-ylphenyl)carbamoylamino]-2-hydroxy-2-methylpropanoic acid
CID 122074139
N-(5-chloro-2-morpholin-4-ylphenyl)-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 51310799
N-(5-chloro-2-morpholin-4-ylphenyl)-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide
CID 26207996
2-amino-5-chloro-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)benzamide
CID 61140365
N-(5-chloro-2-morpholin-4-ylphenyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 55559378
N-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]-6-morpholin-4-ylpyridine-3-carboxamide
CID 37298475
N-(5-chloro-2-morpholin-4-ylphenyl)-3-(2-fluorophenyl)sulfanylpropanamide
CID 43033796

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-morpholin-4-ylphenyl)-3-(2,3-dihydro-1-benzofuran-2-ylmethyl)urea?
The IUPAC name of 1-(5-chloro-2-morpholin-4-ylphenyl)-3-(2,3-dihydro-1-benzofuran-2-ylmethyl)urea (CID 55695180) is 1-(5-chloro-2-morpholin-4-ylphenyl)-3-(2,3-dihydro-1-benzofuran-2-ylmethyl)urea.
What is the SMILES notation for 1-(5-chloro-2-morpholin-4-ylphenyl)-3-(2,3-dihydro-1-benzofuran-2-ylmethyl)urea?
The canonical SMILES for 1-(5-chloro-2-morpholin-4-ylphenyl)-3-(2,3-dihydro-1-benzofuran-2-ylmethyl)urea is O=C(NCC1Cc2ccccc2O1)Nc1cc(Cl)ccc1N1CCOCC1.
What is the InChIKey of 1-(5-chloro-2-morpholin-4-ylphenyl)-3-(2,3-dihydro-1-benzofuran-2-ylmethyl)urea?
The InChIKey is JURAYIXCEIBTBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClN3O3/c21-15-5-6-18(24-7-9-26-10-8-24)17(12-15)23-20(25)22-13-16-11-14-3-1-2-4-19(14)27-16/h1-6,12,16H,7-11,13H2,(H2,22,23,25).
What are the key properties of 1-(5-chloro-2-morpholin-4-ylphenyl)-3-(2,3-dihydro-1-benzofuran-2-ylmethyl)urea?
1-(5-chloro-2-morpholin-4-ylphenyl)-3-(2,3-dihydro-1-benzofuran-2-ylmethyl)urea has a molecular weight of 387.87 g/mol, XLogP of 3.30, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-morpholin-4-ylphenyl)-3-(2,3-dihydro-1-benzofuran-2-ylmethyl)urea is sourced from PubChem (CID 55695180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).