1-(5-bromo-2-methylphenyl)-3-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)urea

C16H17BrN2O2 — CID 78890613

IUPAC1-(5-bromo-2-methylphenyl)-3-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)urea
SMILESCc1ccc(Br)cc1NC(=O)NC1CCCc2occc21
InChIInChI=1S/C16H17BrN2O2/c1-10-5-6-11(17)9-14(10)19-16(20)18-13-3-2-4-15-12(13)7-8-21-15/h5-9,13H,2-4H2,1H3,(H2,18,19,20)
InChIKeyRVKAXZSUMHJOOB-UHFFFAOYSA-N
MW349.23 g/mol
LogP4.55
Rot. Bonds2

About 1-(5-bromo-2-methylphenyl)-3-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)urea

1-(5-bromo-2-methylphenyl)-3-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)urea (PubChem CID 78890613) has the molecular formula C16H17BrN2O2 and a molecular weight of 349.23 g/mol. Its IUPAC name is 1-(5-bromo-2-methylphenyl)-3-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)urea.

Molecular Properties

Compound Name1-(5-bromo-2-methylphenyl)-3-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)urea
PubChem CID78890613
Molecular FormulaC16H17BrN2O2
Molecular Weight349.23 g/mol
Exact Mass348.05
IUPAC Name1-(5-bromo-2-methylphenyl)-3-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)urea
SMILESCc1ccc(Br)cc1NC(=O)NC1CCCc2occc21
InChIInChI=1S/C16H17BrN2O2/c1-10-5-6-11(17)9-14(10)19-16(20)18-13-3-2-4-15-12(13)7-8-21-15/h5-9,13H,2-4H2,1H3,(H2,18,19,20)
InChIKeyRVKAXZSUMHJOOB-UHFFFAOYSA-N
XLogP4.55
TPSA54.27 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.23
LogP ≤ 54.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-(5-bromo-2-methylphenyl)-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-iodo-2-methylphenyl)-3-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)urea
CID 78891844
1-phenyl-3-[(4S)-4,5,6,7-tetrahydro-1-benzofuran-4-yl]urea
CID 941313
5-bromo-2-fluoro-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)benzamide
CID 60734129
1-(4-ethylphenyl)-3-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)urea
CID 78891853
1-[2-(2,6-dimethylphenoxy)ethyl]-3-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)urea
CID 78882784
1-(3-chlorophenyl)-3-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)urea
CID 78891837
1-(2-bromo-4-fluoroanilino)-3-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)urea
CID 78891451
(2S)-2-amino-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)propanamide
CID 61274318
1-(4-chloro-3-fluorophenyl)-3-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)urea
CID 78890822
1-(2-cyclopropyl-3-methyloxolan-3-yl)-3-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)urea
CID 154789690
1-(2-phenoxyethyl)-3-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)urea
CID 86927702
1-(5-propan-2-yl-1,3-thiazol-2-yl)-3-[(4S)-4,5,6,7-tetrahydro-1-benzofuran-4-yl]urea
CID 164636843

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-methylphenyl)-3-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)urea?
The IUPAC name of 1-(5-bromo-2-methylphenyl)-3-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)urea (CID 78890613) is 1-(5-bromo-2-methylphenyl)-3-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)urea.
What is the SMILES notation for 1-(5-bromo-2-methylphenyl)-3-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)urea?
The canonical SMILES for 1-(5-bromo-2-methylphenyl)-3-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)urea is Cc1ccc(Br)cc1NC(=O)NC1CCCc2occc21.
What is the InChIKey of 1-(5-bromo-2-methylphenyl)-3-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)urea?
The InChIKey is RVKAXZSUMHJOOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrN2O2/c1-10-5-6-11(17)9-14(10)19-16(20)18-13-3-2-4-15-12(13)7-8-21-15/h5-9,13H,2-4H2,1H3,(H2,18,19,20).
What are the key properties of 1-(5-bromo-2-methylphenyl)-3-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)urea?
1-(5-bromo-2-methylphenyl)-3-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)urea has a molecular weight of 349.23 g/mol, XLogP of 4.55, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-methylphenyl)-3-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)urea is sourced from PubChem (CID 78890613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).