1-(3-chlorophenyl)-3-(2,2-difluoro-1,3-benzodioxol-5-yl)urea

C14H9ClF2N2O3 — CID 132846933

IUPAC1-(3-chlorophenyl)-3-(2,2-difluoro-1,3-benzodioxol-5-yl)urea
SMILESO=C(Nc1cccc(Cl)c1)Nc1ccc2c(c1)OC(F)(F)O2
InChIInChI=1S/C14H9ClF2N2O3/c15-8-2-1-3-9(6-8)18-13(20)19-10-4-5-11-12(7-10)22-14(16,17)21-11/h1-7H,(H2,18,19,20)
InChIKeyGABNLSIXBJRDQX-UHFFFAOYSA-N
MW326.69 g/mol
LogP4.31
Rot. Bonds2

About 1-(3-chlorophenyl)-3-(2,2-difluoro-1,3-benzodioxol-5-yl)urea

1-(3-chlorophenyl)-3-(2,2-difluoro-1,3-benzodioxol-5-yl)urea (PubChem CID 132846933) has the molecular formula C14H9ClF2N2O3 and a molecular weight of 326.69 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-3-(2,2-difluoro-1,3-benzodioxol-5-yl)urea.

Molecular Properties

Compound Name1-(3-chlorophenyl)-3-(2,2-difluoro-1,3-benzodioxol-5-yl)urea
PubChem CID132846933
Molecular FormulaC14H9ClF2N2O3
Molecular Weight326.69 g/mol
Exact Mass326.03
IUPAC Name1-(3-chlorophenyl)-3-(2,2-difluoro-1,3-benzodioxol-5-yl)urea
SMILESO=C(Nc1cccc(Cl)c1)Nc1ccc2c(c1)OC(F)(F)O2
InChIInChI=1S/C14H9ClF2N2O3/c15-8-2-1-3-9(6-8)18-13(20)19-10-4-5-11-12(7-10)22-14(16,17)21-11/h1-7H,(H2,18,19,20)
InChIKeyGABNLSIXBJRDQX-UHFFFAOYSA-N
XLogP4.31
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.69
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(2,4-dichlorophenyl)-2-hydroxyethyl]-3-(2,2-difluoro-1,3-benzodioxol-5-yl)urea
CID 166359369
2-[4-(3-chlorophenyl)piperazin-1-yl]-N-(2,2-difluoro-1,3-benzodioxol-5-yl)acetamide
CID 2453681
1-(3-chloro-4-fluorophenyl)-3-(3-chlorophenyl)urea
CID 742623
1-(2,2-difluoro-1,3-benzodioxol-5-yl)-3-(2,2,2-trifluoroethyl)urea
CID 115584060
CID 168763640
CID 168763640
1-(4-bromo-3-fluorophenyl)-3-(3-chlorophenyl)urea
CID 65431813
2-bromo-N-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-methylpropanamide
CID 116816927
3-[(2,2-difluoro-1,3-benzodioxol-5-yl)carbamoylamino]butanoic acid
CID 61185302
4-[(3-chlorophenyl)carbamoylamino]benzenesulfonic acid
CID 108869978
4-[(3-chlorophenyl)carbamoylamino]-2-fluorobenzoic acid
CID 107793077
CID 73055968
CID 73055968
1-[4-(3-chloroanilino)phenyl]-3-phenylurea
CID 112986987

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-3-(2,2-difluoro-1,3-benzodioxol-5-yl)urea?
The IUPAC name of 1-(3-chlorophenyl)-3-(2,2-difluoro-1,3-benzodioxol-5-yl)urea (CID 132846933) is 1-(3-chlorophenyl)-3-(2,2-difluoro-1,3-benzodioxol-5-yl)urea.
What is the SMILES notation for 1-(3-chlorophenyl)-3-(2,2-difluoro-1,3-benzodioxol-5-yl)urea?
The canonical SMILES for 1-(3-chlorophenyl)-3-(2,2-difluoro-1,3-benzodioxol-5-yl)urea is O=C(Nc1cccc(Cl)c1)Nc1ccc2c(c1)OC(F)(F)O2.
What is the InChIKey of 1-(3-chlorophenyl)-3-(2,2-difluoro-1,3-benzodioxol-5-yl)urea?
The InChIKey is GABNLSIXBJRDQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClF2N2O3/c15-8-2-1-3-9(6-8)18-13(20)19-10-4-5-11-12(7-10)22-14(16,17)21-11/h1-7H,(H2,18,19,20).
What are the key properties of 1-(3-chlorophenyl)-3-(2,2-difluoro-1,3-benzodioxol-5-yl)urea?
1-(3-chlorophenyl)-3-(2,2-difluoro-1,3-benzodioxol-5-yl)urea has a molecular weight of 326.69 g/mol, XLogP of 4.31, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-3-(2,2-difluoro-1,3-benzodioxol-5-yl)urea is sourced from PubChem (CID 132846933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).