[(R)-1-benzofuran-3-yl(phenyl)methyl]urea

C16H14N2O2 — CID 871475

IUPAC[(R)-1-benzofuran-3-yl(phenyl)methyl]urea
SMILESNC(=O)N[C@H](c1ccccc1)c1coc2ccccc12
InChIInChI=1S/C16H14N2O2/c17-16(19)18-15(11-6-2-1-3-7-11)13-10-20-14-9-5-4-8-12(13)14/h1-10,15H,(H3,17,18,19)/t15-/m1/s1
InChIKeyVNOYDRTXZGPBPE-OAHLLOKOSA-N
MW266.30 g/mol
LogP3.19
Rot. Bonds3

About [(R)-1-benzofuran-3-yl(phenyl)methyl]urea

[(R)-1-benzofuran-3-yl(phenyl)methyl]urea (PubChem CID 871475) has the molecular formula C16H14N2O2 and a molecular weight of 266.30 g/mol. Its IUPAC name is [(R)-1-benzofuran-3-yl(phenyl)methyl]urea.

Molecular Properties

Compound Name[(R)-1-benzofuran-3-yl(phenyl)methyl]urea
PubChem CID871475
Molecular FormulaC16H14N2O2
Molecular Weight266.30 g/mol
Exact Mass266.11
IUPAC Name[(R)-1-benzofuran-3-yl(phenyl)methyl]urea
SMILESNC(=O)N[C@H](c1ccccc1)c1coc2ccccc12
InChIInChI=1S/C16H14N2O2/c17-16(19)18-15(11-6-2-1-3-7-11)13-10-20-14-9-5-4-8-12(13)14/h1-10,15H,(H3,17,18,19)/t15-/m1/s1
InChIKeyVNOYDRTXZGPBPE-OAHLLOKOSA-N
XLogP3.19
TPSA68.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[(S)-(2-chlorophenyl)-phenylmethyl]urea
CID 871468
[(R)-(2-methylphenyl)-phenylmethyl]urea
CID 870913
[(S)-(2-iodophenyl)-phenylmethyl]urea
CID 1368454
[furan-2-yl(phenyl)methyl]urea
CID 14906081
3-benzhydryl-1-benzofuran
CID 53493031
2-amino-3-(1-benzofuran-3-yl)-3-(methylamino)propanoic acid
CID 116957427
1-amino-1-(1-benzofuran-3-yl)propan-2-one
CID 55273195
methyl 2-[[2-(1-benzofuran-3-yl)acetyl]amino]propanoate
CID 110485821
1-[amino(1-benzofuran-3-yl)methyl]cyclopropane-1-carboxylic acid
CID 116943154
[(3-fluorophenyl)-phenylmethyl]urea
CID 15151796
[(S)-(4-methoxyphenyl)-phenylmethyl]urea
CID 870966
[(S)-[5-chloro-2-(methylamino)phenyl]-phenylmethyl]urea
CID 867520

Frequently Asked Questions

What is the IUPAC name of [(R)-1-benzofuran-3-yl(phenyl)methyl]urea?
The IUPAC name of [(R)-1-benzofuran-3-yl(phenyl)methyl]urea (CID 871475) is [(R)-1-benzofuran-3-yl(phenyl)methyl]urea.
What is the SMILES notation for [(R)-1-benzofuran-3-yl(phenyl)methyl]urea?
The canonical SMILES for [(R)-1-benzofuran-3-yl(phenyl)methyl]urea is NC(=O)N[C@H](c1ccccc1)c1coc2ccccc12.
What is the InChIKey of [(R)-1-benzofuran-3-yl(phenyl)methyl]urea?
The InChIKey is VNOYDRTXZGPBPE-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H14N2O2/c17-16(19)18-15(11-6-2-1-3-7-11)13-10-20-14-9-5-4-8-12(13)14/h1-10,15H,(H3,17,18,19)/t15-/m1/s1.
What are the key properties of [(R)-1-benzofuran-3-yl(phenyl)methyl]urea?
[(R)-1-benzofuran-3-yl(phenyl)methyl]urea has a molecular weight of 266.30 g/mol, XLogP of 3.19, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(R)-1-benzofuran-3-yl(phenyl)methyl]urea is sourced from PubChem (CID 871475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).