1-[1-(1-benzofuran-2-yl)propan-2-yl]-3-[(4-fluorophenyl)methyl]urea

C19H19FN2O2 — CID 119104199

IUPAC1-[1-(1-benzofuran-2-yl)propan-2-yl]-3-[(4-fluorophenyl)methyl]urea
SMILESCC(Cc1cc2ccccc2o1)NC(=O)NCc1ccc(F)cc1
InChIInChI=1S/C19H19FN2O2/c1-13(10-17-11-15-4-2-3-5-18(15)24-17)22-19(23)21-12-14-6-8-16(20)9-7-14/h2-9,11,13H,10,12H2,1H3,(H2,21,22,23)
InChIKeyGAKUXHKTIJQBQW-UHFFFAOYSA-N
MW326.37 g/mol
LogP4.00
Rot. Bonds5

About 1-[1-(1-benzofuran-2-yl)propan-2-yl]-3-[(4-fluorophenyl)methyl]urea

1-[1-(1-benzofuran-2-yl)propan-2-yl]-3-[(4-fluorophenyl)methyl]urea (PubChem CID 119104199) has the molecular formula C19H19FN2O2 and a molecular weight of 326.37 g/mol. Its IUPAC name is 1-[1-(1-benzofuran-2-yl)propan-2-yl]-3-[(4-fluorophenyl)methyl]urea.

Molecular Properties

Compound Name1-[1-(1-benzofuran-2-yl)propan-2-yl]-3-[(4-fluorophenyl)methyl]urea
PubChem CID119104199
Molecular FormulaC19H19FN2O2
Molecular Weight326.37 g/mol
Exact Mass326.14
IUPAC Name1-[1-(1-benzofuran-2-yl)propan-2-yl]-3-[(4-fluorophenyl)methyl]urea
SMILESCC(Cc1cc2ccccc2o1)NC(=O)NCc1ccc(F)cc1
InChIInChI=1S/C19H19FN2O2/c1-13(10-17-11-15-4-2-3-5-18(15)24-17)22-19(23)21-12-14-6-8-16(20)9-7-14/h2-9,11,13H,10,12H2,1H3,(H2,21,22,23)
InChIKeyGAKUXHKTIJQBQW-UHFFFAOYSA-N
XLogP4.00
TPSA54.27 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.37
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-[1-(1-benzofuran-2-yl)propan-2-yl]-3-[(4-fluorophenyl)methyl]urea with MolForge

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Related Compounds

N-[1-(1-benzofuran-2-yl)propan-2-yl]-1-(4-fluorophenyl)cyclopropane-1-carboxamide
CID 119104163
N-[(2R)-1-(1-benzofuran-2-yl)propan-2-yl]-1,2-oxazole-5-carboxamide
CID 124760447
N-[(2S)-1-(1-benzofuran-2-yl)propan-2-yl]-2-chloro-6-fluorobenzamide
CID 124892455
N-[(2S)-1-(1-benzofuran-2-yl)propan-2-yl]-2-(2-fluorophenoxy)acetamide
CID 124761323
N-[(2R)-1-(1-benzofuran-2-yl)propan-2-yl]-2-methoxyacetamide
CID 129354527
N-[1-(1-benzofuran-2-yl)propan-2-yl]cyclopropanecarboxamide
CID 119104139
N-[1-(1-benzofuran-2-yl)propan-2-yl]-3-(2-fluorophenyl)propanamide
CID 121021346
N-[1-(1-benzofuran-2-yl)propan-2-yl]-3-[4-(trifluoromethyl)phenyl]propanamide
CID 119104171
N-[(2R)-1-(1-benzofuran-2-yl)propan-2-yl]-3-(4-methoxyphenyl)propanamide
CID 124759090
N-[(2S)-1-(1-benzofuran-2-yl)propan-2-yl]-2-(trifluoromethyl)benzamide
CID 124759381
1-[(4-fluorophenyl)methyl]-3-(1-phenylethyl)urea
CID 51290878
N-[(2S)-1-(1-benzofuran-2-yl)propan-2-yl]furan-3-carboxamide
CID 124891983

Frequently Asked Questions

What is the IUPAC name of 1-[1-(1-benzofuran-2-yl)propan-2-yl]-3-[(4-fluorophenyl)methyl]urea?
The IUPAC name of 1-[1-(1-benzofuran-2-yl)propan-2-yl]-3-[(4-fluorophenyl)methyl]urea (CID 119104199) is 1-[1-(1-benzofuran-2-yl)propan-2-yl]-3-[(4-fluorophenyl)methyl]urea.
What is the SMILES notation for 1-[1-(1-benzofuran-2-yl)propan-2-yl]-3-[(4-fluorophenyl)methyl]urea?
The canonical SMILES for 1-[1-(1-benzofuran-2-yl)propan-2-yl]-3-[(4-fluorophenyl)methyl]urea is CC(Cc1cc2ccccc2o1)NC(=O)NCc1ccc(F)cc1.
What is the InChIKey of 1-[1-(1-benzofuran-2-yl)propan-2-yl]-3-[(4-fluorophenyl)methyl]urea?
The InChIKey is GAKUXHKTIJQBQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN2O2/c1-13(10-17-11-15-4-2-3-5-18(15)24-17)22-19(23)21-12-14-6-8-16(20)9-7-14/h2-9,11,13H,10,12H2,1H3,(H2,21,22,23).
What are the key properties of 1-[1-(1-benzofuran-2-yl)propan-2-yl]-3-[(4-fluorophenyl)methyl]urea?
1-[1-(1-benzofuran-2-yl)propan-2-yl]-3-[(4-fluorophenyl)methyl]urea has a molecular weight of 326.37 g/mol, XLogP of 4.00, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(1-benzofuran-2-yl)propan-2-yl]-3-[(4-fluorophenyl)methyl]urea is sourced from PubChem (CID 119104199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).