1-(4-chloro-3-fluorophenyl)-3-(oxolan-2-ylmethyl)urea

C12H14ClFN2O2 — CID 47223543

IUPAC1-(4-chloro-3-fluorophenyl)-3-(oxolan-2-ylmethyl)urea
SMILESO=C(NCC1CCCO1)Nc1ccc(Cl)c(F)c1
InChIInChI=1S/C12H14ClFN2O2/c13-10-4-3-8(6-11(10)14)16-12(17)15-7-9-2-1-5-18-9/h3-4,6,9H,1-2,5,7H2,(H2,15,16,17)
InChIKeyLNHMPXGYKJPLMP-UHFFFAOYSA-N
MW272.71 g/mol
LogP2.78
Rot. Bonds3

About 1-(4-chloro-3-fluorophenyl)-3-(oxolan-2-ylmethyl)urea

1-(4-chloro-3-fluorophenyl)-3-(oxolan-2-ylmethyl)urea (PubChem CID 47223543) has the molecular formula C12H14ClFN2O2 and a molecular weight of 272.71 g/mol. Its IUPAC name is 1-(4-chloro-3-fluorophenyl)-3-(oxolan-2-ylmethyl)urea.

Molecular Properties

Compound Name1-(4-chloro-3-fluorophenyl)-3-(oxolan-2-ylmethyl)urea
PubChem CID47223543
Molecular FormulaC12H14ClFN2O2
Molecular Weight272.71 g/mol
Exact Mass272.07
IUPAC Name1-(4-chloro-3-fluorophenyl)-3-(oxolan-2-ylmethyl)urea
SMILESO=C(NCC1CCCO1)Nc1ccc(Cl)c(F)c1
InChIInChI=1S/C12H14ClFN2O2/c13-10-4-3-8(6-11(10)14)16-12(17)15-7-9-2-1-5-18-9/h3-4,6,9H,1-2,5,7H2,(H2,15,16,17)
InChIKeyLNHMPXGYKJPLMP-UHFFFAOYSA-N
XLogP2.78
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.71
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-(4-chloro-3-fluorophenyl)-3-(oxolan-2-ylmethyl)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-[4-chloro-3-(difluoromethoxy)phenyl]-3-(oxolan-2-ylmethyl)urea
CID 75451511
1-(3-fluoro-4-pyrrolidin-1-ylphenyl)-3-[[(2R)-oxolan-2-yl]methyl]urea
CID 94167086
1-(3,5-dichlorophenyl)-3-(oxolan-2-ylmethyl)urea
CID 6466967
1-(4-chloro-2-fluorophenyl)-3-[[(2R)-oxolan-2-yl]methyl]urea
CID 28946591
1-[4-chloro-3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-3-[[(2S)-oxolan-2-yl]methyl]urea
CID 100674947
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[[(2R)-oxolan-2-yl]methyl]urea
CID 27474064
2,5-difluoro-N-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]benzamide
CID 134050539
2-hydroxy-4-(oxolan-2-ylmethylcarbamoylamino)benzoic acid
CID 61191613
3-fluoro-N-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]benzamide
CID 75800008
5-chloro-N-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]furan-2-carboxamide
CID 46537419
1-(5-chloro-2-methylphenyl)-3-[[(2R)-oxolan-2-yl]methyl]urea
CID 51427378
1-N-(3,4-difluorophenyl)-2-N-(oxolan-2-ylmethyl)cyclopropane-1,2-dicarboxamide
CID 109133630

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-3-fluorophenyl)-3-(oxolan-2-ylmethyl)urea?
The IUPAC name of 1-(4-chloro-3-fluorophenyl)-3-(oxolan-2-ylmethyl)urea (CID 47223543) is 1-(4-chloro-3-fluorophenyl)-3-(oxolan-2-ylmethyl)urea.
What is the SMILES notation for 1-(4-chloro-3-fluorophenyl)-3-(oxolan-2-ylmethyl)urea?
The canonical SMILES for 1-(4-chloro-3-fluorophenyl)-3-(oxolan-2-ylmethyl)urea is O=C(NCC1CCCO1)Nc1ccc(Cl)c(F)c1.
What is the InChIKey of 1-(4-chloro-3-fluorophenyl)-3-(oxolan-2-ylmethyl)urea?
The InChIKey is LNHMPXGYKJPLMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClFN2O2/c13-10-4-3-8(6-11(10)14)16-12(17)15-7-9-2-1-5-18-9/h3-4,6,9H,1-2,5,7H2,(H2,15,16,17).
What are the key properties of 1-(4-chloro-3-fluorophenyl)-3-(oxolan-2-ylmethyl)urea?
1-(4-chloro-3-fluorophenyl)-3-(oxolan-2-ylmethyl)urea has a molecular weight of 272.71 g/mol, XLogP of 2.78, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-3-fluorophenyl)-3-(oxolan-2-ylmethyl)urea is sourced from PubChem (CID 47223543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).