1-(2,5-dimethylphenyl)-3-(furan-2-yl)urea

C13H14N2O2 — CID 108868559

IUPAC1-(2,5-dimethylphenyl)-3-(furan-2-yl)urea
SMILESCc1ccc(C)c(NC(=O)Nc2ccco2)c1
InChIInChI=1S/C13H14N2O2/c1-9-5-6-10(2)11(8-9)14-13(16)15-12-4-3-7-17-12/h3-8H,1-2H3,(H2,14,15,16)
InChIKeyNTNPVIFDILJPSQ-UHFFFAOYSA-N
MW230.27 g/mol
LogP3.54
Rot. Bonds2

About 1-(2,5-dimethylphenyl)-3-(furan-2-yl)urea

1-(2,5-dimethylphenyl)-3-(furan-2-yl)urea (PubChem CID 108868559) has the molecular formula C13H14N2O2 and a molecular weight of 230.27 g/mol. Its IUPAC name is 1-(2,5-dimethylphenyl)-3-(furan-2-yl)urea.

Molecular Properties

Compound Name1-(2,5-dimethylphenyl)-3-(furan-2-yl)urea
PubChem CID108868559
Molecular FormulaC13H14N2O2
Molecular Weight230.27 g/mol
Exact Mass230.11
IUPAC Name1-(2,5-dimethylphenyl)-3-(furan-2-yl)urea
SMILESCc1ccc(C)c(NC(=O)Nc2ccco2)c1
InChIInChI=1S/C13H14N2O2/c1-9-5-6-10(2)11(8-9)14-13(16)15-12-4-3-7-17-12/h3-8H,1-2H3,(H2,14,15,16)
InChIKeyNTNPVIFDILJPSQ-UHFFFAOYSA-N
XLogP3.54
TPSA54.27 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-chloro-2-methylphenyl)-3-(furan-2-yl)urea
CID 108868402
N-[(2S)-1-(2,5-dimethylanilino)-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide
CID 9138220
1-(2,5-dimethylphenyl)-3-(2-ethylphenyl)urea
CID 17270131
[(1S)-2-(2,5-dimethylanilino)-2-oxo-1-phenylethyl] furan-2-carboxylate
CID 7486663
2-chloro-N-(2,5-dimethylphenyl)propanamide
CID 25218955
N-(2,5-dimethylphenyl)-2-(furan-2-ylmethylsulfanyl)-2-phenylacetamide
CID 78627476
1-(4-bromophenyl)-3-(2,5-dimethylphenyl)urea
CID 108869298
1-(2,5-dimethylphenyl)-3-pyridazin-3-ylurea
CID 86818398
(2S)-N-(2,5-dimethylphenyl)-2-[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]propanamide
CID 9431677
3-[(2,5-dimethylphenyl)carbamoylamino]benzoic acid
CID 61193250
4-(2,5-dimethylanilino)-2-(furan-2-ylmethylamino)-4-oxobutanoic acid
CID 4095700
N-(2,5-dimethylphenyl)-N'-(furan-2-ylmethylideneamino)butanediamide
CID 3289300

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylphenyl)-3-(furan-2-yl)urea?
The IUPAC name of 1-(2,5-dimethylphenyl)-3-(furan-2-yl)urea (CID 108868559) is 1-(2,5-dimethylphenyl)-3-(furan-2-yl)urea.
What is the SMILES notation for 1-(2,5-dimethylphenyl)-3-(furan-2-yl)urea?
The canonical SMILES for 1-(2,5-dimethylphenyl)-3-(furan-2-yl)urea is Cc1ccc(C)c(NC(=O)Nc2ccco2)c1.
What is the InChIKey of 1-(2,5-dimethylphenyl)-3-(furan-2-yl)urea?
The InChIKey is NTNPVIFDILJPSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2/c1-9-5-6-10(2)11(8-9)14-13(16)15-12-4-3-7-17-12/h3-8H,1-2H3,(H2,14,15,16).
What are the key properties of 1-(2,5-dimethylphenyl)-3-(furan-2-yl)urea?
1-(2,5-dimethylphenyl)-3-(furan-2-yl)urea has a molecular weight of 230.27 g/mol, XLogP of 3.54, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylphenyl)-3-(furan-2-yl)urea is sourced from PubChem (CID 108868559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).