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

C15H16N2O2 — CID 941313

IUPAC1-phenyl-3-[(4S)-4,5,6,7-tetrahydro-1-benzofuran-4-yl]urea
SMILESO=C(Nc1ccccc1)N[C@H]1CCCc2occc21
InChIInChI=1S/C15H16N2O2/c18-15(16-11-5-2-1-3-6-11)17-13-7-4-8-14-12(13)9-10-19-14/h1-3,5-6,9-10,13H,4,7-8H2,(H2,16,17,18)/t13-/m0/s1
InChIKeyBJDXNYDZRUOGFB-ZDUSSCGKSA-N
MW256.31 g/mol
LogP3.48
Rot. Bonds2

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

1-phenyl-3-[(4S)-4,5,6,7-tetrahydro-1-benzofuran-4-yl]urea (PubChem CID 941313) has the molecular formula C15H16N2O2 and a molecular weight of 256.31 g/mol. Its IUPAC name is 1-phenyl-3-[(4S)-4,5,6,7-tetrahydro-1-benzofuran-4-yl]urea.

Molecular Properties

Compound Name1-phenyl-3-[(4S)-4,5,6,7-tetrahydro-1-benzofuran-4-yl]urea
PubChem CID941313
Molecular FormulaC15H16N2O2
Molecular Weight256.31 g/mol
Exact Mass256.12
IUPAC Name1-phenyl-3-[(4S)-4,5,6,7-tetrahydro-1-benzofuran-4-yl]urea
SMILESO=C(Nc1ccccc1)N[C@H]1CCCc2occc21
InChIInChI=1S/C15H16N2O2/c18-15(16-11-5-2-1-3-6-11)17-13-7-4-8-14-12(13)9-10-19-14/h1-3,5-6,9-10,13H,4,7-8H2,(H2,16,17,18)/t13-/m0/s1
InChIKeyBJDXNYDZRUOGFB-ZDUSSCGKSA-N
XLogP3.48
TPSA54.27 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-phenyl-3-[(4S)-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-(3-chlorophenyl)-3-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)urea
CID 78891837
1-(4-ethylphenyl)-3-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)urea
CID 78891853
1-(4-chloro-3-fluorophenyl)-3-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)urea
CID 78890822
1-(1-pyrimidin-2-ylpyrazol-4-yl)-3-[(4S)-4,5,6,7-tetrahydro-1-benzofuran-4-yl]urea
CID 124608238
1-(2-phenoxyethyl)-3-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)urea
CID 86927702
1-(2-hydroxycyclohexyl)-3-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)urea
CID 110933290
1-(4-iodo-2-methylphenyl)-3-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)urea
CID 78891844
4-(4,5,6,7-tetrahydro-1-benzofuran-4-ylcarbamoyl)cyclohexane-1-carboxylic acid
CID 120672796
1-[3-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]phenyl]-3-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)urea
CID 78891580
1-[3-chloro-4-(difluoromethoxy)phenyl]-3-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)urea
CID 78891560
1-(5-bromo-2-methylphenyl)-3-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)urea
CID 78890613
1-[2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]-3-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)urea
CID 87005888

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-3-[(4S)-4,5,6,7-tetrahydro-1-benzofuran-4-yl]urea?
The IUPAC name of 1-phenyl-3-[(4S)-4,5,6,7-tetrahydro-1-benzofuran-4-yl]urea (CID 941313) is 1-phenyl-3-[(4S)-4,5,6,7-tetrahydro-1-benzofuran-4-yl]urea.
What is the SMILES notation for 1-phenyl-3-[(4S)-4,5,6,7-tetrahydro-1-benzofuran-4-yl]urea?
The canonical SMILES for 1-phenyl-3-[(4S)-4,5,6,7-tetrahydro-1-benzofuran-4-yl]urea is O=C(Nc1ccccc1)N[C@H]1CCCc2occc21.
What is the InChIKey of 1-phenyl-3-[(4S)-4,5,6,7-tetrahydro-1-benzofuran-4-yl]urea?
The InChIKey is BJDXNYDZRUOGFB-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H16N2O2/c18-15(16-11-5-2-1-3-6-11)17-13-7-4-8-14-12(13)9-10-19-14/h1-3,5-6,9-10,13H,4,7-8H2,(H2,16,17,18)/t13-/m0/s1.
What are the key properties of 1-phenyl-3-[(4S)-4,5,6,7-tetrahydro-1-benzofuran-4-yl]urea?
1-phenyl-3-[(4S)-4,5,6,7-tetrahydro-1-benzofuran-4-yl]urea has a molecular weight of 256.31 g/mol, XLogP of 3.48, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-3-[(4S)-4,5,6,7-tetrahydro-1-benzofuran-4-yl]urea is sourced from PubChem (CID 941313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).