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

C16H17FN4O2 — CID 78839937

IUPAC1-(2-cyano-4-fluorophenyl)-3-[2-(dimethylamino)-2-(furan-2-yl)ethyl]urea
SMILESCN(C)C(CNC(=O)Nc1ccc(F)cc1C#N)c1ccco1
InChIInChI=1S/C16H17FN4O2/c1-21(2)14(15-4-3-7-23-15)10-19-16(22)20-13-6-5-12(17)8-11(13)9-18/h3-8,14H,10H2,1-2H3,(H2,19,20,22)
InChIKeyMBKPWQLVTVGJOD-UHFFFAOYSA-N
MW316.34 g/mol
LogP2.71
Rot. Bonds5

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

1-(2-cyano-4-fluorophenyl)-3-[2-(dimethylamino)-2-(furan-2-yl)ethyl]urea (PubChem CID 78839937) has the molecular formula C16H17FN4O2 and a molecular weight of 316.34 g/mol. Its IUPAC name is 1-(2-cyano-4-fluorophenyl)-3-[2-(dimethylamino)-2-(furan-2-yl)ethyl]urea.

Molecular Properties

Compound Name1-(2-cyano-4-fluorophenyl)-3-[2-(dimethylamino)-2-(furan-2-yl)ethyl]urea
PubChem CID78839937
Molecular FormulaC16H17FN4O2
Molecular Weight316.34 g/mol
Exact Mass316.13
IUPAC Name1-(2-cyano-4-fluorophenyl)-3-[2-(dimethylamino)-2-(furan-2-yl)ethyl]urea
SMILESCN(C)C(CNC(=O)Nc1ccc(F)cc1C#N)c1ccco1
InChIInChI=1S/C16H17FN4O2/c1-21(2)14(15-4-3-7-23-15)10-19-16(22)20-13-6-5-12(17)8-11(13)9-18/h3-8,14H,10H2,1-2H3,(H2,19,20,22)
InChIKeyMBKPWQLVTVGJOD-UHFFFAOYSA-N
XLogP2.71
TPSA81.30 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.34
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-cyano-4-fluorophenyl)-3-[2-(dimethylamino)-2-thiophen-2-ylethyl]urea
CID 78838929
1-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-(4-fluorophenyl)urea
CID 17494246
1-(2-cyano-4-fluorophenyl)-3-[2-(N-methylanilino)propyl]urea
CID 78896423
1-(4-cyanophenyl)-3-[2-(dimethylamino)-2-(furan-2-yl)ethyl]urea
CID 84515229
1-(2-cyano-4-fluorophenyl)-3-[furan-2-yl(phenyl)methyl]urea
CID 78894274
4-[(2-cyano-4-fluorophenyl)carbamoylamino]-3-methylbutanoic acid
CID 82016044
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-4-fluorobenzamide;hydrochloride
CID 52985207
1-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-phenylurea
CID 18588934
3-[[(2-cyano-4-fluorophenyl)carbamoylamino]methyl]pentanoic acid
CID 82683792
1-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-[2-fluoro-5-(methanesulfonamido)phenyl]urea
CID 74238570
1-(2-cyano-4-fluorophenyl)-3-[2-(2-hydroxyethyl)pentyl]urea
CID 111926815
3-[[2-(dimethylamino)-2-(furan-2-yl)ethyl]carbamoylamino]-4-methoxy-N,N-dimethylbenzamide
CID 60543252

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyano-4-fluorophenyl)-3-[2-(dimethylamino)-2-(furan-2-yl)ethyl]urea?
The IUPAC name of 1-(2-cyano-4-fluorophenyl)-3-[2-(dimethylamino)-2-(furan-2-yl)ethyl]urea (CID 78839937) is 1-(2-cyano-4-fluorophenyl)-3-[2-(dimethylamino)-2-(furan-2-yl)ethyl]urea.
What is the SMILES notation for 1-(2-cyano-4-fluorophenyl)-3-[2-(dimethylamino)-2-(furan-2-yl)ethyl]urea?
The canonical SMILES for 1-(2-cyano-4-fluorophenyl)-3-[2-(dimethylamino)-2-(furan-2-yl)ethyl]urea is CN(C)C(CNC(=O)Nc1ccc(F)cc1C#N)c1ccco1.
What is the InChIKey of 1-(2-cyano-4-fluorophenyl)-3-[2-(dimethylamino)-2-(furan-2-yl)ethyl]urea?
The InChIKey is MBKPWQLVTVGJOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN4O2/c1-21(2)14(15-4-3-7-23-15)10-19-16(22)20-13-6-5-12(17)8-11(13)9-18/h3-8,14H,10H2,1-2H3,(H2,19,20,22).
What are the key properties of 1-(2-cyano-4-fluorophenyl)-3-[2-(dimethylamino)-2-(furan-2-yl)ethyl]urea?
1-(2-cyano-4-fluorophenyl)-3-[2-(dimethylamino)-2-(furan-2-yl)ethyl]urea has a molecular weight of 316.34 g/mol, XLogP of 2.71, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyano-4-fluorophenyl)-3-[2-(dimethylamino)-2-(furan-2-yl)ethyl]urea is sourced from PubChem (CID 78839937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).