1-benzyl-3-[4-(2-cyanophenoxy)phenyl]-1-(furan-2-ylmethyl)urea

C26H21N3O3 — CID 60577721

IUPAC1-benzyl-3-[4-(2-cyanophenoxy)phenyl]-1-(furan-2-ylmethyl)urea
SMILESN#Cc1ccccc1Oc1ccc(NC(=O)N(Cc2ccccc2)Cc2ccco2)cc1
InChIInChI=1S/C26H21N3O3/c27-17-21-9-4-5-11-25(21)32-23-14-12-22(13-15-23)28-26(30)29(19-24-10-6-16-31-24)18-20-7-2-1-3-8-20/h1-16H,18-19H2,(H,28,30)
InChIKeyLSDQLOYFBSAFPC-UHFFFAOYSA-N
MW423.47 g/mol
LogP6.18
Rot. Bonds7

About 1-benzyl-3-[4-(2-cyanophenoxy)phenyl]-1-(furan-2-ylmethyl)urea

1-benzyl-3-[4-(2-cyanophenoxy)phenyl]-1-(furan-2-ylmethyl)urea (PubChem CID 60577721) has the molecular formula C26H21N3O3 and a molecular weight of 423.47 g/mol. Its IUPAC name is 1-benzyl-3-[4-(2-cyanophenoxy)phenyl]-1-(furan-2-ylmethyl)urea.

Molecular Properties

Compound Name1-benzyl-3-[4-(2-cyanophenoxy)phenyl]-1-(furan-2-ylmethyl)urea
PubChem CID60577721
Molecular FormulaC26H21N3O3
Molecular Weight423.47 g/mol
Exact Mass423.16
IUPAC Name1-benzyl-3-[4-(2-cyanophenoxy)phenyl]-1-(furan-2-ylmethyl)urea
SMILESN#Cc1ccccc1Oc1ccc(NC(=O)N(Cc2ccccc2)Cc2ccco2)cc1
InChIInChI=1S/C26H21N3O3/c27-17-21-9-4-5-11-25(21)32-23-14-12-22(13-15-23)28-26(30)29(19-24-10-6-16-31-24)18-20-7-2-1-3-8-20/h1-16H,18-19H2,(H,28,30)
InChIKeyLSDQLOYFBSAFPC-UHFFFAOYSA-N
XLogP6.18
TPSA78.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.47
LogP ≤ 56.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(2-cyanophenoxy)phenyl]furan-2-carboxamide
CID 87012577
N-[4-[4-(2-cyanophenoxy)anilino]-4-oxobutyl]furan-2-carboxamide
CID 86832735
N-benzyl-4-cyano-N-(furan-2-ylmethyl)benzamide
CID 37429743
N-benzyl-2-[(4-ethoxyphenyl)carbamoyl-prop-2-enylamino]-N-(furan-2-ylmethyl)acetamide
CID 3928097
N'-benzyl-N'-(furan-2-ylmethyl)-N-phenyloxamide
CID 75493351
1-(furan-2-ylmethyl)-1-[(4-phenoxyphenyl)methyl]-3-(2,4,6-trimethylphenyl)urea
CID 67698513
3-(3-chloro-4-cyanophenyl)-1-(furan-2-ylmethyl)-1-[(2-hydroxyphenyl)methyl]urea
CID 87009116
3-(4-bromophenyl)-1-(furan-2-ylmethyl)-1-(2-phenylethyl)urea
CID 1058618
[5-[[furan-2-ylmethyl(phenylcarbamoyl)amino]methyl]-2-methoxyphenyl] methanesulfonate
CID 46123678
[4-[[furan-2-ylmethyl-[(4-methylsulfanylphenyl)carbamoyl]amino]methyl]phenyl] methanesulfonate
CID 3278573
N-benzyl-2-[(3-cyanophenyl)carbamoyl-prop-2-enylamino]-N-(furan-2-ylmethyl)acetamide
CID 4542304
1-(1,3-benzodioxol-5-ylmethyl)-1-(furan-2-ylmethyl)-3-(4-methoxyphenyl)urea
CID 42724349

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-[4-(2-cyanophenoxy)phenyl]-1-(furan-2-ylmethyl)urea?
The IUPAC name of 1-benzyl-3-[4-(2-cyanophenoxy)phenyl]-1-(furan-2-ylmethyl)urea (CID 60577721) is 1-benzyl-3-[4-(2-cyanophenoxy)phenyl]-1-(furan-2-ylmethyl)urea.
What is the SMILES notation for 1-benzyl-3-[4-(2-cyanophenoxy)phenyl]-1-(furan-2-ylmethyl)urea?
The canonical SMILES for 1-benzyl-3-[4-(2-cyanophenoxy)phenyl]-1-(furan-2-ylmethyl)urea is N#Cc1ccccc1Oc1ccc(NC(=O)N(Cc2ccccc2)Cc2ccco2)cc1.
What is the InChIKey of 1-benzyl-3-[4-(2-cyanophenoxy)phenyl]-1-(furan-2-ylmethyl)urea?
The InChIKey is LSDQLOYFBSAFPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21N3O3/c27-17-21-9-4-5-11-25(21)32-23-14-12-22(13-15-23)28-26(30)29(19-24-10-6-16-31-24)18-20-7-2-1-3-8-20/h1-16H,18-19H2,(H,28,30).
What are the key properties of 1-benzyl-3-[4-(2-cyanophenoxy)phenyl]-1-(furan-2-ylmethyl)urea?
1-benzyl-3-[4-(2-cyanophenoxy)phenyl]-1-(furan-2-ylmethyl)urea has a molecular weight of 423.47 g/mol, XLogP of 6.18, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-[4-(2-cyanophenoxy)phenyl]-1-(furan-2-ylmethyl)urea is sourced from PubChem (CID 60577721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).