1-(5-chloro-2-methylphenyl)-3-(furan-2-yl)urea

C12H11ClN2O2 — CID 108868402

IUPAC1-(5-chloro-2-methylphenyl)-3-(furan-2-yl)urea
SMILESCc1ccc(Cl)cc1NC(=O)Nc1ccco1
InChIInChI=1S/C12H11ClN2O2/c1-8-4-5-9(13)7-10(8)14-12(16)15-11-3-2-6-17-11/h2-7H,1H3,(H2,14,15,16)
InChIKeySGDHKLKDFOWUMW-UHFFFAOYSA-N
MW250.69 g/mol
LogP3.89
Rot. Bonds2

About 1-(5-chloro-2-methylphenyl)-3-(furan-2-yl)urea

1-(5-chloro-2-methylphenyl)-3-(furan-2-yl)urea (PubChem CID 108868402) has the molecular formula C12H11ClN2O2 and a molecular weight of 250.69 g/mol. Its IUPAC name is 1-(5-chloro-2-methylphenyl)-3-(furan-2-yl)urea.

Molecular Properties

Compound Name1-(5-chloro-2-methylphenyl)-3-(furan-2-yl)urea
PubChem CID108868402
Molecular FormulaC12H11ClN2O2
Molecular Weight250.69 g/mol
Exact Mass250.05
IUPAC Name1-(5-chloro-2-methylphenyl)-3-(furan-2-yl)urea
SMILESCc1ccc(Cl)cc1NC(=O)Nc1ccco1
InChIInChI=1S/C12H11ClN2O2/c1-8-4-5-9(13)7-10(8)14-12(16)15-11-3-2-6-17-11/h2-7H,1H3,(H2,14,15,16)
InChIKeySGDHKLKDFOWUMW-UHFFFAOYSA-N
XLogP3.89
TPSA54.27 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.69
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,5-dimethylphenyl)-3-(furan-2-yl)urea
CID 108868559
1-(5-chloro-2-methylphenyl)-3-(2-iodophenyl)urea
CID 108868918
1-(3-chloro-2-methylphenyl)-3-(5-chloro-2-methylphenyl)urea
CID 108991775
1-(5-chloro-2-methylphenyl)-3-(4-methylphenyl)urea
CID 4577351
1-(5-chloro-2-methylphenyl)-3-(2,3,4-trifluorophenyl)urea
CID 108892469
1-(3-chloro-4-fluorophenyl)-3-(furan-2-yl)urea
CID 108868551
(2S)-2-bromo-N-(5-chloro-2-methylphenyl)propanamide
CID 94063637
1-(5-chloro-2-methylphenyl)-3-(2-cyanophenyl)urea
CID 17180173
N-(5-chloro-2-methylphenyl)-3-(furan-2-yl)benzamide
CID 168527887
N,N'-bis(5-chloro-2-methylphenyl)propanediamide
CID 1340673
(2R)-2-[(5-chloro-2-methylphenyl)carbamoylamino]propanoate
CID 7679282
N-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-N-methylfuran-2-carboxamide
CID 35563379

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-methylphenyl)-3-(furan-2-yl)urea?
The IUPAC name of 1-(5-chloro-2-methylphenyl)-3-(furan-2-yl)urea (CID 108868402) is 1-(5-chloro-2-methylphenyl)-3-(furan-2-yl)urea.
What is the SMILES notation for 1-(5-chloro-2-methylphenyl)-3-(furan-2-yl)urea?
The canonical SMILES for 1-(5-chloro-2-methylphenyl)-3-(furan-2-yl)urea is Cc1ccc(Cl)cc1NC(=O)Nc1ccco1.
What is the InChIKey of 1-(5-chloro-2-methylphenyl)-3-(furan-2-yl)urea?
The InChIKey is SGDHKLKDFOWUMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2O2/c1-8-4-5-9(13)7-10(8)14-12(16)15-11-3-2-6-17-11/h2-7H,1H3,(H2,14,15,16).
What are the key properties of 1-(5-chloro-2-methylphenyl)-3-(furan-2-yl)urea?
1-(5-chloro-2-methylphenyl)-3-(furan-2-yl)urea has a molecular weight of 250.69 g/mol, XLogP of 3.89, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-methylphenyl)-3-(furan-2-yl)urea is sourced from PubChem (CID 108868402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).