1-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-3-[1-(5-methylfuran-2-yl)ethyl]urea

C20H26FN3O3 — CID 86993305

IUPAC1-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-3-[1-(5-methylfuran-2-yl)ethyl]urea
SMILESCc1ccc(C(C)NC(=O)NCC(c2ccc(F)cc2)N2CCOCC2)o1
InChIInChI=1S/C20H26FN3O3/c1-14-3-8-19(27-14)15(2)23-20(25)22-13-18(24-9-11-26-12-10-24)16-4-6-17(21)7-5-16/h3-8,15,18H,9-13H2,1-2H3,(H2,22,23,25)
InChIKeyRQVMSVLCHIKIFD-UHFFFAOYSA-N
MW375.44 g/mol
LogP3.16
Rot. Bonds6

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

1-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-3-[1-(5-methylfuran-2-yl)ethyl]urea (PubChem CID 86993305) has the molecular formula C20H26FN3O3 and a molecular weight of 375.44 g/mol. Its IUPAC name is 1-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-3-[1-(5-methylfuran-2-yl)ethyl]urea.

Molecular Properties

Compound Name1-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-3-[1-(5-methylfuran-2-yl)ethyl]urea
PubChem CID86993305
Molecular FormulaC20H26FN3O3
Molecular Weight375.44 g/mol
Exact Mass375.20
IUPAC Name1-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-3-[1-(5-methylfuran-2-yl)ethyl]urea
SMILESCc1ccc(C(C)NC(=O)NCC(c2ccc(F)cc2)N2CCOCC2)o1
InChIInChI=1S/C20H26FN3O3/c1-14-3-8-19(27-14)15(2)23-20(25)22-13-18(24-9-11-26-12-10-24)16-4-6-17(21)7-5-16/h3-8,15,18H,9-13H2,1-2H3,(H2,22,23,25)
InChIKeyRQVMSVLCHIKIFD-UHFFFAOYSA-N
XLogP3.16
TPSA66.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.44
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-fluorophenyl)-3-[(2S)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]urea
CID 30037330
1-[(2S)-2-morpholin-4-yl-2-phenylethyl]-3-[(1R)-1-phenylethyl]urea
CID 51934988
N-[(2S)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-methylpropanamide
CID 30334846
1-[1-(2,4-dichloro-5-fluorophenyl)ethyl]-3-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]urea
CID 55456763
1-(5-fluoro-2-methylphenyl)-3-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]urea
CID 86986971
2-(4-fluorophenoxy)-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]acetamide
CID 18164114
N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-(phenylcarbamoylamino)propanamide
CID 112793827
1-[(1S)-1-(5-methylfuran-2-yl)ethyl]-3-(2-morpholin-4-ylethyl)urea
CID 94027153
2-(4-fluorophenyl)-N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]acetamide
CID 30834749
N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-(4-methylphenyl)acetamide
CID 17459584
2,2-dichloro-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]propanamide
CID 3673625
1-(2-fluoro-4-methylphenyl)-3-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]urea
CID 86987160

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-3-[1-(5-methylfuran-2-yl)ethyl]urea?
The IUPAC name of 1-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-3-[1-(5-methylfuran-2-yl)ethyl]urea (CID 86993305) is 1-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-3-[1-(5-methylfuran-2-yl)ethyl]urea.
What is the SMILES notation for 1-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-3-[1-(5-methylfuran-2-yl)ethyl]urea?
The canonical SMILES for 1-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-3-[1-(5-methylfuran-2-yl)ethyl]urea is Cc1ccc(C(C)NC(=O)NCC(c2ccc(F)cc2)N2CCOCC2)o1.
What is the InChIKey of 1-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-3-[1-(5-methylfuran-2-yl)ethyl]urea?
The InChIKey is RQVMSVLCHIKIFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26FN3O3/c1-14-3-8-19(27-14)15(2)23-20(25)22-13-18(24-9-11-26-12-10-24)16-4-6-17(21)7-5-16/h3-8,15,18H,9-13H2,1-2H3,(H2,22,23,25).
What are the key properties of 1-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-3-[1-(5-methylfuran-2-yl)ethyl]urea?
1-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-3-[1-(5-methylfuran-2-yl)ethyl]urea has a molecular weight of 375.44 g/mol, XLogP of 3.16, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-3-[1-(5-methylfuran-2-yl)ethyl]urea is sourced from PubChem (CID 86993305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).