1-(5-cyano-2-methylphenyl)-3-(furan-3-ylmethyl)urea

C14H13N3O2 — CID 75418487

IUPAC1-(5-cyano-2-methylphenyl)-3-(furan-3-ylmethyl)urea
SMILESCc1ccc(C#N)cc1NC(=O)NCc1ccoc1
InChIInChI=1S/C14H13N3O2/c1-10-2-3-11(7-15)6-13(10)17-14(18)16-8-12-4-5-19-9-12/h2-6,9H,8H2,1H3,(H2,16,17,18)
InChIKeyJUGFSMATTHJMEV-UHFFFAOYSA-N
MW255.28 g/mol
LogP2.78
Rot. Bonds3

About 1-(5-cyano-2-methylphenyl)-3-(furan-3-ylmethyl)urea

1-(5-cyano-2-methylphenyl)-3-(furan-3-ylmethyl)urea (PubChem CID 75418487) has the molecular formula C14H13N3O2 and a molecular weight of 255.28 g/mol. Its IUPAC name is 1-(5-cyano-2-methylphenyl)-3-(furan-3-ylmethyl)urea.

Molecular Properties

Compound Name1-(5-cyano-2-methylphenyl)-3-(furan-3-ylmethyl)urea
PubChem CID75418487
Molecular FormulaC14H13N3O2
Molecular Weight255.28 g/mol
Exact Mass255.10
IUPAC Name1-(5-cyano-2-methylphenyl)-3-(furan-3-ylmethyl)urea
SMILESCc1ccc(C#N)cc1NC(=O)NCc1ccoc1
InChIInChI=1S/C14H13N3O2/c1-10-2-3-11(7-15)6-13(10)17-14(18)16-8-12-4-5-19-9-12/h2-6,9H,8H2,1H3,(H2,16,17,18)
InChIKeyJUGFSMATTHJMEV-UHFFFAOYSA-N
XLogP2.78
TPSA78.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-3-[(5-cyano-2-methylphenyl)carbamoylamino]-2-hydroxypropanoic acid
CID 107839593
6-[(5-cyano-2-methylphenyl)carbamoylamino]hexanoic acid
CID 62104886
methyl N-(5-cyano-2-methylphenyl)carbamate
CID 62065723
1-(5-cyano-2-methylphenyl)-3-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]urea
CID 111474375
1-(5-cyano-2-methylphenyl)-3-[(2S)-3-methylbutan-2-yl]urea
CID 94826096
1-(furan-3-ylmethyl)-3-(3-methyl-1,2-oxazol-5-yl)urea
CID 154857494
1-(2-chlorophenyl)-3-(5-cyano-2-methylphenyl)urea
CID 62105247
N-(5-cyano-2-methylphenyl)-5-methylfuran-2-carboxamide
CID 47475916
(2S)-2-amino-N-(5-cyano-2-methylphenyl)-3-methylpentanamide
CID 62105604
N-(5-cyano-2-methylphenyl)-2-(2-fluorophenyl)acetamide
CID 47475886
5-[(5-cyano-2-methylphenyl)carbamoyl]furan-3-carboxylic acid
CID 104607480
3-(5-cyano-2-methylphenyl)-1,1-diethylurea
CID 78983855

Frequently Asked Questions

What is the IUPAC name of 1-(5-cyano-2-methylphenyl)-3-(furan-3-ylmethyl)urea?
The IUPAC name of 1-(5-cyano-2-methylphenyl)-3-(furan-3-ylmethyl)urea (CID 75418487) is 1-(5-cyano-2-methylphenyl)-3-(furan-3-ylmethyl)urea.
What is the SMILES notation for 1-(5-cyano-2-methylphenyl)-3-(furan-3-ylmethyl)urea?
The canonical SMILES for 1-(5-cyano-2-methylphenyl)-3-(furan-3-ylmethyl)urea is Cc1ccc(C#N)cc1NC(=O)NCc1ccoc1.
What is the InChIKey of 1-(5-cyano-2-methylphenyl)-3-(furan-3-ylmethyl)urea?
The InChIKey is JUGFSMATTHJMEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O2/c1-10-2-3-11(7-15)6-13(10)17-14(18)16-8-12-4-5-19-9-12/h2-6,9H,8H2,1H3,(H2,16,17,18).
What are the key properties of 1-(5-cyano-2-methylphenyl)-3-(furan-3-ylmethyl)urea?
1-(5-cyano-2-methylphenyl)-3-(furan-3-ylmethyl)urea has a molecular weight of 255.28 g/mol, XLogP of 2.78, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-cyano-2-methylphenyl)-3-(furan-3-ylmethyl)urea is sourced from PubChem (CID 75418487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).