1-(3-chlorophenyl)-3-[(2R)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]urea

C18H22ClN3O3 — CID 30089001

IUPAC1-(3-chlorophenyl)-3-[(2R)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]urea
SMILESCc1ccc([C@@H](CNC(=O)Nc2cccc(Cl)c2)N2CCOCC2)o1
InChIInChI=1S/C18H22ClN3O3/c1-13-5-6-17(25-13)16(22-7-9-24-10-8-22)12-20-18(23)21-15-4-2-3-14(19)11-15/h2-6,11,16H,7-10,12H2,1H3,(H2,20,21,23)/t16-/m1/s1
InChIKeyLHGXZPWQCJJFOG-MRXNPFEDSA-N
MW363.85 g/mol
LogP3.44
Rot. Bonds5

About 1-(3-chlorophenyl)-3-[(2R)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]urea

1-(3-chlorophenyl)-3-[(2R)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]urea (PubChem CID 30089001) has the molecular formula C18H22ClN3O3 and a molecular weight of 363.85 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-3-[(2R)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]urea.

Molecular Properties

Compound Name1-(3-chlorophenyl)-3-[(2R)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]urea
PubChem CID30089001
Molecular FormulaC18H22ClN3O3
Molecular Weight363.85 g/mol
Exact Mass363.13
IUPAC Name1-(3-chlorophenyl)-3-[(2R)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]urea
SMILESCc1ccc([C@@H](CNC(=O)Nc2cccc(Cl)c2)N2CCOCC2)o1
InChIInChI=1S/C18H22ClN3O3/c1-13-5-6-17(25-13)16(22-7-9-24-10-8-22)12-20-18(23)21-15-4-2-3-14(19)11-15/h2-6,11,16H,7-10,12H2,1H3,(H2,20,21,23)/t16-/m1/s1
InChIKeyLHGXZPWQCJJFOG-MRXNPFEDSA-N
XLogP3.44
TPSA66.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.85
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2R)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-3-phenylurea
CID 30089006
1-(3-ethylphenyl)-3-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]urea
CID 86987253
1-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-3-(3-sulfamoylphenyl)urea
CID 55684084
1-(4-fluorophenyl)-3-[(2S)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]urea
CID 30037330
1-(3-chlorophenyl)-3-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]urea
CID 18589035
1-(3-chlorophenyl)-3-[(2S)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]urea
CID 30834737
2-(3-chlorophenoxy)-N-[(2S)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]acetamide
CID 51927031
2,5-dichloro-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]benzamide
CID 18168876
1-[4-(difluoromethoxy)phenyl]-3-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]urea
CID 86987370
1-(3-ethynylphenyl)-3-[(2S)-2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]urea
CID 95733924
1-(1,3-benzothiazol-6-yl)-3-[(2S)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]urea
CID 97435153
1-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-3-pyridin-2-ylurea
CID 51083980

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-3-[(2R)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]urea?
The IUPAC name of 1-(3-chlorophenyl)-3-[(2R)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]urea (CID 30089001) is 1-(3-chlorophenyl)-3-[(2R)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]urea.
What is the SMILES notation for 1-(3-chlorophenyl)-3-[(2R)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]urea?
The canonical SMILES for 1-(3-chlorophenyl)-3-[(2R)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]urea is Cc1ccc([C@@H](CNC(=O)Nc2cccc(Cl)c2)N2CCOCC2)o1.
What is the InChIKey of 1-(3-chlorophenyl)-3-[(2R)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]urea?
The InChIKey is LHGXZPWQCJJFOG-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H22ClN3O3/c1-13-5-6-17(25-13)16(22-7-9-24-10-8-22)12-20-18(23)21-15-4-2-3-14(19)11-15/h2-6,11,16H,7-10,12H2,1H3,(H2,20,21,23)/t16-/m1/s1.
What are the key properties of 1-(3-chlorophenyl)-3-[(2R)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]urea?
1-(3-chlorophenyl)-3-[(2R)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]urea has a molecular weight of 363.85 g/mol, XLogP of 3.44, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-3-[(2R)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]urea is sourced from PubChem (CID 30089001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).