1-(2-cyano-4-fluorophenyl)-3-[furan-2-yl(phenyl)methyl]urea

C19H14FN3O2 — CID 78894274

IUPAC1-(2-cyano-4-fluorophenyl)-3-[furan-2-yl(phenyl)methyl]urea
SMILESN#Cc1cc(F)ccc1NC(=O)NC(c1ccccc1)c1ccco1
InChIInChI=1S/C19H14FN3O2/c20-15-8-9-16(14(11-15)12-21)22-19(24)23-18(17-7-4-10-25-17)13-5-2-1-3-6-13/h1-11,18H,(H2,22,23,24)
InChIKeyNFJZAGKBILFUKZ-UHFFFAOYSA-N
MW335.34 g/mol
LogP4.20
Rot. Bonds4

About 1-(2-cyano-4-fluorophenyl)-3-[furan-2-yl(phenyl)methyl]urea

1-(2-cyano-4-fluorophenyl)-3-[furan-2-yl(phenyl)methyl]urea (PubChem CID 78894274) has the molecular formula C19H14FN3O2 and a molecular weight of 335.34 g/mol. Its IUPAC name is 1-(2-cyano-4-fluorophenyl)-3-[furan-2-yl(phenyl)methyl]urea.

Molecular Properties

Compound Name1-(2-cyano-4-fluorophenyl)-3-[furan-2-yl(phenyl)methyl]urea
PubChem CID78894274
Molecular FormulaC19H14FN3O2
Molecular Weight335.34 g/mol
Exact Mass335.11
IUPAC Name1-(2-cyano-4-fluorophenyl)-3-[furan-2-yl(phenyl)methyl]urea
SMILESN#Cc1cc(F)ccc1NC(=O)NC(c1ccccc1)c1ccco1
InChIInChI=1S/C19H14FN3O2/c20-15-8-9-16(14(11-15)12-21)22-19(24)23-18(17-7-4-10-25-17)13-5-2-1-3-6-13/h1-11,18H,(H2,22,23,24)
InChIKeyNFJZAGKBILFUKZ-UHFFFAOYSA-N
XLogP4.20
TPSA78.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.34
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-cyano-4-fluorophenyl)-3-[2-(dimethylamino)-2-(furan-2-yl)ethyl]urea
CID 78839937
3-fluoro-N-[(S)-furan-2-yl(phenyl)methyl]benzamide
CID 8928171
3,5-difluoro-N-[(S)-furan-2-yl(phenyl)methyl]benzamide
CID 8928311
1-(2-cyano-4-fluorophenyl)-3-(3-methylbutan-2-yl)urea
CID 78839868
(2S,3R)-2-[(2-cyano-4-fluorophenyl)carbamoylamino]-3-hydroxybutanoic acid
CID 104966489
2-[(2-cyano-4-fluorophenyl)carbamoylamino]-3-hydroxybutanoic acid
CID 82016047
(2R)-2-[(2-cyano-4-fluorophenyl)carbamoylamino]butanoic acid
CID 82016256
1-(2-cyano-4-fluorophenyl)-3-(4-hydroxy-2-phenylbutyl)urea
CID 111926804
(2S)-N-(2-chloro-4-fluorophenyl)-2-[[(R)-furan-2-yl(phenyl)methyl]amino]propanamide
CID 8755176
1-(2-cyano-4-fluorophenyl)-3-(2,4-difluorophenyl)urea
CID 115279853
2-(2-cyanophenoxy)-N-[furan-2-yl(phenyl)methyl]acetamide
CID 51202359
1-(2-cyano-4-fluorophenyl)-3-[(2R)-1-hydroxybutan-2-yl]urea
CID 97025761

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyano-4-fluorophenyl)-3-[furan-2-yl(phenyl)methyl]urea?
The IUPAC name of 1-(2-cyano-4-fluorophenyl)-3-[furan-2-yl(phenyl)methyl]urea (CID 78894274) is 1-(2-cyano-4-fluorophenyl)-3-[furan-2-yl(phenyl)methyl]urea.
What is the SMILES notation for 1-(2-cyano-4-fluorophenyl)-3-[furan-2-yl(phenyl)methyl]urea?
The canonical SMILES for 1-(2-cyano-4-fluorophenyl)-3-[furan-2-yl(phenyl)methyl]urea is N#Cc1cc(F)ccc1NC(=O)NC(c1ccccc1)c1ccco1.
What is the InChIKey of 1-(2-cyano-4-fluorophenyl)-3-[furan-2-yl(phenyl)methyl]urea?
The InChIKey is NFJZAGKBILFUKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14FN3O2/c20-15-8-9-16(14(11-15)12-21)22-19(24)23-18(17-7-4-10-25-17)13-5-2-1-3-6-13/h1-11,18H,(H2,22,23,24).
What are the key properties of 1-(2-cyano-4-fluorophenyl)-3-[furan-2-yl(phenyl)methyl]urea?
1-(2-cyano-4-fluorophenyl)-3-[furan-2-yl(phenyl)methyl]urea has a molecular weight of 335.34 g/mol, XLogP of 4.20, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyano-4-fluorophenyl)-3-[furan-2-yl(phenyl)methyl]urea is sourced from PubChem (CID 78894274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).