1-[3-chloro-4-(difluoromethoxy)phenyl]-3-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)urea

C16H15ClF2N2O3 — CID 78891560

IUPAC1-[3-chloro-4-(difluoromethoxy)phenyl]-3-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)urea
SMILESO=C(Nc1ccc(OC(F)F)c(Cl)c1)NC1CCCc2occc21
InChIInChI=1S/C16H15ClF2N2O3/c17-11-8-9(4-5-14(11)24-15(18)19)20-16(22)21-12-2-1-3-13-10(12)6-7-23-13/h4-8,12,15H,1-3H2,(H2,20,21,22)
InChIKeyZQWWQMIGOGAMNZ-UHFFFAOYSA-N
MW356.76 g/mol
LogP4.73
Rot. Bonds4

About 1-[3-chloro-4-(difluoromethoxy)phenyl]-3-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)urea

1-[3-chloro-4-(difluoromethoxy)phenyl]-3-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)urea (PubChem CID 78891560) has the molecular formula C16H15ClF2N2O3 and a molecular weight of 356.76 g/mol. Its IUPAC name is 1-[3-chloro-4-(difluoromethoxy)phenyl]-3-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)urea.

Molecular Properties

Compound Name1-[3-chloro-4-(difluoromethoxy)phenyl]-3-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)urea
PubChem CID78891560
Molecular FormulaC16H15ClF2N2O3
Molecular Weight356.76 g/mol
Exact Mass356.07
IUPAC Name1-[3-chloro-4-(difluoromethoxy)phenyl]-3-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)urea
SMILESO=C(Nc1ccc(OC(F)F)c(Cl)c1)NC1CCCc2occc21
InChIInChI=1S/C16H15ClF2N2O3/c17-11-8-9(4-5-14(11)24-15(18)19)20-16(22)21-12-2-1-3-13-10(12)6-7-23-13/h4-8,12,15H,1-3H2,(H2,20,21,22)
InChIKeyZQWWQMIGOGAMNZ-UHFFFAOYSA-N
XLogP4.73
TPSA63.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.76
LogP ≤ 54.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[3-chloro-4-(difluoromethoxy)phenyl]-3-(4,5,6,7-tetrahydro-1-benzofuran-4-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-(4-chloro-3-fluorophenyl)-3-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)urea
CID 78890822
1-(3-chlorophenyl)-3-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)urea
CID 78891837
1-[3-chloro-4-(difluoromethoxy)phenyl]-3-cyclohexylurea
CID 17269947
1-phenyl-3-[(4S)-4,5,6,7-tetrahydro-1-benzofuran-4-yl]urea
CID 941313
1-(4-ethylphenyl)-3-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)urea
CID 78891853
2-amino-N-[3-chloro-4-(difluoromethoxy)phenyl]cyclohexane-1-carboxamide
CID 64822097
2,4-dichloro-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)benzamide
CID 3491146
5-chloro-2-fluoro-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)benzamide
CID 60734211
N-[3-chloro-4-(difluoromethoxy)phenyl]-2,2-difluoroacetamide
CID 113218222
1-[3-chloro-4-(difluoromethoxy)phenyl]-3-(3-chlorophenyl)urea
CID 8002775
1-[3-chloro-4-(difluoromethoxy)phenyl]-3-(3,4-dimethoxyphenyl)urea
CID 1297847
1-(4-iodo-2-methylphenyl)-3-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)urea
CID 78891844

Frequently Asked Questions

What is the IUPAC name of 1-[3-chloro-4-(difluoromethoxy)phenyl]-3-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)urea?
The IUPAC name of 1-[3-chloro-4-(difluoromethoxy)phenyl]-3-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)urea (CID 78891560) is 1-[3-chloro-4-(difluoromethoxy)phenyl]-3-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)urea.
What is the SMILES notation for 1-[3-chloro-4-(difluoromethoxy)phenyl]-3-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)urea?
The canonical SMILES for 1-[3-chloro-4-(difluoromethoxy)phenyl]-3-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)urea is O=C(Nc1ccc(OC(F)F)c(Cl)c1)NC1CCCc2occc21.
What is the InChIKey of 1-[3-chloro-4-(difluoromethoxy)phenyl]-3-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)urea?
The InChIKey is ZQWWQMIGOGAMNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClF2N2O3/c17-11-8-9(4-5-14(11)24-15(18)19)20-16(22)21-12-2-1-3-13-10(12)6-7-23-13/h4-8,12,15H,1-3H2,(H2,20,21,22).
What are the key properties of 1-[3-chloro-4-(difluoromethoxy)phenyl]-3-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)urea?
1-[3-chloro-4-(difluoromethoxy)phenyl]-3-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)urea has a molecular weight of 356.76 g/mol, XLogP of 4.73, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-chloro-4-(difluoromethoxy)phenyl]-3-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)urea is sourced from PubChem (CID 78891560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).