1-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-(4-fluorophenyl)urea

C15H18FN3O2 — CID 17494246

IUPAC1-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-(4-fluorophenyl)urea
SMILESCN(C)C(CNC(=O)Nc1ccc(F)cc1)c1ccco1
InChIInChI=1S/C15H18FN3O2/c1-19(2)13(14-4-3-9-21-14)10-17-15(20)18-12-7-5-11(16)6-8-12/h3-9,13H,10H2,1-2H3,(H2,17,18,20)
InChIKeyCQSOSKIJISVEKM-UHFFFAOYSA-N
MW291.33 g/mol
LogP2.84
Rot. Bonds5

About 1-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-(4-fluorophenyl)urea

1-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-(4-fluorophenyl)urea (PubChem CID 17494246) has the molecular formula C15H18FN3O2 and a molecular weight of 291.33 g/mol. Its IUPAC name is 1-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-(4-fluorophenyl)urea.

Molecular Properties

Compound Name1-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-(4-fluorophenyl)urea
PubChem CID17494246
Molecular FormulaC15H18FN3O2
Molecular Weight291.33 g/mol
Exact Mass291.14
IUPAC Name1-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-(4-fluorophenyl)urea
SMILESCN(C)C(CNC(=O)Nc1ccc(F)cc1)c1ccco1
InChIInChI=1S/C15H18FN3O2/c1-19(2)13(14-4-3-9-21-14)10-17-15(20)18-12-7-5-11(16)6-8-12/h3-9,13H,10H2,1-2H3,(H2,17,18,20)
InChIKeyCQSOSKIJISVEKM-UHFFFAOYSA-N
XLogP2.84
TPSA57.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.33
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-phenylurea
CID 18588934
1-(4-cyanophenyl)-3-[2-(dimethylamino)-2-(furan-2-yl)ethyl]urea
CID 84515229
1-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-(4-nitrophenyl)urea
CID 134062767
1-(4-fluorophenyl)-3-[(2R)-2-(furan-2-yl)-2-methoxyethyl]urea
CID 99876552
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-4-fluorobenzamide;hydrochloride
CID 52985207
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-(4-fluorophenyl)acetamide
CID 18588939
1-[4-[benzyl(methyl)amino]phenyl]-3-[2-(dimethylamino)-2-(furan-2-yl)ethyl]urea
CID 60543399
1-(2-cyano-4-fluorophenyl)-3-[2-(dimethylamino)-2-(furan-2-yl)ethyl]urea
CID 78839937
1-(4-fluorophenyl)-3-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ium-1-ylethyl]urea
CID 9318401
1-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-[4-(thiadiazol-4-yl)phenyl]urea
CID 60577768
1-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-[2-fluoro-5-(methanesulfonamido)phenyl]urea
CID 74238570
1-(3-butan-2-yloxyphenyl)-3-[2-(dimethylamino)-2-(furan-2-yl)ethyl]urea
CID 60583718

Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-(4-fluorophenyl)urea?
The IUPAC name of 1-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-(4-fluorophenyl)urea (CID 17494246) is 1-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-(4-fluorophenyl)urea.
What is the SMILES notation for 1-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-(4-fluorophenyl)urea?
The canonical SMILES for 1-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-(4-fluorophenyl)urea is CN(C)C(CNC(=O)Nc1ccc(F)cc1)c1ccco1.
What is the InChIKey of 1-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-(4-fluorophenyl)urea?
The InChIKey is CQSOSKIJISVEKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3O2/c1-19(2)13(14-4-3-9-21-14)10-17-15(20)18-12-7-5-11(16)6-8-12/h3-9,13H,10H2,1-2H3,(H2,17,18,20).
What are the key properties of 1-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-(4-fluorophenyl)urea?
1-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-(4-fluorophenyl)urea has a molecular weight of 291.33 g/mol, XLogP of 2.84, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-(4-fluorophenyl)urea is sourced from PubChem (CID 17494246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).