1-(3-chloro-4-fluorophenyl)-3-(furan-2-yl)urea

C11H8ClFN2O2 — CID 108868551

IUPAC1-(3-chloro-4-fluorophenyl)-3-(furan-2-yl)urea
SMILESO=C(Nc1ccc(F)c(Cl)c1)Nc1ccco1
InChIInChI=1S/C11H8ClFN2O2/c12-8-6-7(3-4-9(8)13)14-11(16)15-10-2-1-5-17-10/h1-6H,(H2,14,15,16)
InChIKeyJYLUOZFZCZPRAZ-UHFFFAOYSA-N
MW254.65 g/mol
LogP3.72
Rot. Bonds2

About 1-(3-chloro-4-fluorophenyl)-3-(furan-2-yl)urea

1-(3-chloro-4-fluorophenyl)-3-(furan-2-yl)urea (PubChem CID 108868551) has the molecular formula C11H8ClFN2O2 and a molecular weight of 254.65 g/mol. Its IUPAC name is 1-(3-chloro-4-fluorophenyl)-3-(furan-2-yl)urea.

Molecular Properties

Compound Name1-(3-chloro-4-fluorophenyl)-3-(furan-2-yl)urea
PubChem CID108868551
Molecular FormulaC11H8ClFN2O2
Molecular Weight254.65 g/mol
Exact Mass254.03
IUPAC Name1-(3-chloro-4-fluorophenyl)-3-(furan-2-yl)urea
SMILESO=C(Nc1ccc(F)c(Cl)c1)Nc1ccco1
InChIInChI=1S/C11H8ClFN2O2/c12-8-6-7(3-4-9(8)13)14-11(16)15-10-2-1-5-17-10/h1-6H,(H2,14,15,16)
InChIKeyJYLUOZFZCZPRAZ-UHFFFAOYSA-N
XLogP3.72
TPSA54.27 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.65
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-(3-chloro-4-fluorophenyl)-3-(furan-2-yl)urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3-chloro-4-fluorophenyl)-3-(3-chlorophenyl)urea
CID 742623
1-(3-chloro-4-fluorophenyl)-3-(3-fluorophenyl)urea
CID 108893983
1-(3-chloro-4-fluorophenyl)-3-(1,2-oxazol-3-yl)urea
CID 6465329
1-(3-chloro-4-fluorophenyl)-3-(2-hydroxyphenyl)urea
CID 108871538
(E)-N-(3-chloro-4-fluorophenyl)-3-(furan-2-yl)prop-2-enamide
CID 802779
1-[3-(1-aminoethyl)phenyl]-3-(3-chloro-4-fluorophenyl)urea
CID 61340020
1-(5-chloro-2-methylphenyl)-3-(furan-2-yl)urea
CID 108868402
1-(3-chloro-4-fluorophenyl)-3-[2-(trifluoromethyl)phenyl]urea
CID 46859814
N-(3-chloro-4-fluorophenyl)-N'-[(E)-furan-2-ylmethylideneamino]oxamide
CID 6890226
1-(3-bromo-4-methylphenyl)-3-(3-chloro-4-fluorophenyl)urea
CID 108991868
1-(3-chloro-4-fluorophenyl)-3-[4-(methanesulfonamido)phenyl]urea
CID 108875348
N-(3-chloro-4-fluorophenyl)-2-(furan-2-ylmethylamino)-2-sulfanylideneacetamide
CID 670594

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-fluorophenyl)-3-(furan-2-yl)urea?
The IUPAC name of 1-(3-chloro-4-fluorophenyl)-3-(furan-2-yl)urea (CID 108868551) is 1-(3-chloro-4-fluorophenyl)-3-(furan-2-yl)urea.
What is the SMILES notation for 1-(3-chloro-4-fluorophenyl)-3-(furan-2-yl)urea?
The canonical SMILES for 1-(3-chloro-4-fluorophenyl)-3-(furan-2-yl)urea is O=C(Nc1ccc(F)c(Cl)c1)Nc1ccco1.
What is the InChIKey of 1-(3-chloro-4-fluorophenyl)-3-(furan-2-yl)urea?
The InChIKey is JYLUOZFZCZPRAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClFN2O2/c12-8-6-7(3-4-9(8)13)14-11(16)15-10-2-1-5-17-10/h1-6H,(H2,14,15,16).
What are the key properties of 1-(3-chloro-4-fluorophenyl)-3-(furan-2-yl)urea?
1-(3-chloro-4-fluorophenyl)-3-(furan-2-yl)urea has a molecular weight of 254.65 g/mol, XLogP of 3.72, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-fluorophenyl)-3-(furan-2-yl)urea is sourced from PubChem (CID 108868551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).