1-[(1S)-1-(1-benzofuran-2-yl)ethyl]-3-phenylurea

C17H16N2O2 — CID 27868711

IUPAC1-[(1S)-1-(1-benzofuran-2-yl)ethyl]-3-phenylurea
SMILESC[C@H](NC(=O)Nc1ccccc1)c1cc2ccccc2o1
InChIInChI=1S/C17H16N2O2/c1-12(16-11-13-7-5-6-10-15(13)21-16)18-17(20)19-14-8-3-2-4-9-14/h2-12H,1H3,(H2,18,19,20)/t12-/m0/s1
InChIKeyRPLCUECBXQIXOO-LBPRGKRZSA-N
MW280.33 g/mol
LogP4.32
Rot. Bonds3

About 1-[(1S)-1-(1-benzofuran-2-yl)ethyl]-3-phenylurea

1-[(1S)-1-(1-benzofuran-2-yl)ethyl]-3-phenylurea (PubChem CID 27868711) has the molecular formula C17H16N2O2 and a molecular weight of 280.33 g/mol. Its IUPAC name is 1-[(1S)-1-(1-benzofuran-2-yl)ethyl]-3-phenylurea.

Molecular Properties

Compound Name1-[(1S)-1-(1-benzofuran-2-yl)ethyl]-3-phenylurea
PubChem CID27868711
Molecular FormulaC17H16N2O2
Molecular Weight280.33 g/mol
Exact Mass280.12
IUPAC Name1-[(1S)-1-(1-benzofuran-2-yl)ethyl]-3-phenylurea
SMILESC[C@H](NC(=O)Nc1ccccc1)c1cc2ccccc2o1
InChIInChI=1S/C17H16N2O2/c1-12(16-11-13-7-5-6-10-15(13)21-16)18-17(20)19-14-8-3-2-4-9-14/h2-12H,1H3,(H2,18,19,20)/t12-/m0/s1
InChIKeyRPLCUECBXQIXOO-LBPRGKRZSA-N
XLogP4.32
TPSA54.27 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-1-(1-benzofuran-2-yl)ethyl]-3-phenylurea?
The IUPAC name of 1-[(1S)-1-(1-benzofuran-2-yl)ethyl]-3-phenylurea (CID 27868711) is 1-[(1S)-1-(1-benzofuran-2-yl)ethyl]-3-phenylurea.
What is the SMILES notation for 1-[(1S)-1-(1-benzofuran-2-yl)ethyl]-3-phenylurea?
The canonical SMILES for 1-[(1S)-1-(1-benzofuran-2-yl)ethyl]-3-phenylurea is C[C@H](NC(=O)Nc1ccccc1)c1cc2ccccc2o1.
What is the InChIKey of 1-[(1S)-1-(1-benzofuran-2-yl)ethyl]-3-phenylurea?
The InChIKey is RPLCUECBXQIXOO-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H16N2O2/c1-12(16-11-13-7-5-6-10-15(13)21-16)18-17(20)19-14-8-3-2-4-9-14/h2-12H,1H3,(H2,18,19,20)/t12-/m0/s1.
What are the key properties of 1-[(1S)-1-(1-benzofuran-2-yl)ethyl]-3-phenylurea?
1-[(1S)-1-(1-benzofuran-2-yl)ethyl]-3-phenylurea has a molecular weight of 280.33 g/mol, XLogP of 4.32, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-1-(1-benzofuran-2-yl)ethyl]-3-phenylurea is sourced from PubChem (CID 27868711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).