1-[(2R)-2-(2-chlorophenyl)-2-methoxyethyl]-3-propan-2-ylurea

C13H19ClN2O2 — CID 99601565

IUPAC1-[(2R)-2-(2-chlorophenyl)-2-methoxyethyl]-3-propan-2-ylurea
SMILESCO[C@@H](CNC(=O)NC(C)C)c1ccccc1Cl
InChIInChI=1S/C13H19ClN2O2/c1-9(2)16-13(17)15-8-12(18-3)10-6-4-5-7-11(10)14/h4-7,9,12H,8H2,1-3H3,(H2,15,16,17)/t12-/m0/s1
InChIKeyPJEGDFYMRMFWQT-LBPRGKRZSA-N
MW270.76 g/mol
LogP2.74
Rot. Bonds5

About 1-[(2R)-2-(2-chlorophenyl)-2-methoxyethyl]-3-propan-2-ylurea

1-[(2R)-2-(2-chlorophenyl)-2-methoxyethyl]-3-propan-2-ylurea (PubChem CID 99601565) has the molecular formula C13H19ClN2O2 and a molecular weight of 270.76 g/mol. Its IUPAC name is 1-[(2R)-2-(2-chlorophenyl)-2-methoxyethyl]-3-propan-2-ylurea.

Molecular Properties

Compound Name1-[(2R)-2-(2-chlorophenyl)-2-methoxyethyl]-3-propan-2-ylurea
PubChem CID99601565
Molecular FormulaC13H19ClN2O2
Molecular Weight270.76 g/mol
Exact Mass270.11
IUPAC Name1-[(2R)-2-(2-chlorophenyl)-2-methoxyethyl]-3-propan-2-ylurea
SMILESCO[C@@H](CNC(=O)NC(C)C)c1ccccc1Cl
InChIInChI=1S/C13H19ClN2O2/c1-9(2)16-13(17)15-8-12(18-3)10-6-4-5-7-11(10)14/h4-7,9,12H,8H2,1-3H3,(H2,15,16,17)/t12-/m0/s1
InChIKeyPJEGDFYMRMFWQT-LBPRGKRZSA-N
XLogP2.74
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.76
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-(2-chlorophenyl)-2-methoxyethyl]-3-propan-2-ylurea?
The IUPAC name of 1-[(2R)-2-(2-chlorophenyl)-2-methoxyethyl]-3-propan-2-ylurea (CID 99601565) is 1-[(2R)-2-(2-chlorophenyl)-2-methoxyethyl]-3-propan-2-ylurea.
What is the SMILES notation for 1-[(2R)-2-(2-chlorophenyl)-2-methoxyethyl]-3-propan-2-ylurea?
The canonical SMILES for 1-[(2R)-2-(2-chlorophenyl)-2-methoxyethyl]-3-propan-2-ylurea is CO[C@@H](CNC(=O)NC(C)C)c1ccccc1Cl.
What is the InChIKey of 1-[(2R)-2-(2-chlorophenyl)-2-methoxyethyl]-3-propan-2-ylurea?
The InChIKey is PJEGDFYMRMFWQT-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H19ClN2O2/c1-9(2)16-13(17)15-8-12(18-3)10-6-4-5-7-11(10)14/h4-7,9,12H,8H2,1-3H3,(H2,15,16,17)/t12-/m0/s1.
What are the key properties of 1-[(2R)-2-(2-chlorophenyl)-2-methoxyethyl]-3-propan-2-ylurea?
1-[(2R)-2-(2-chlorophenyl)-2-methoxyethyl]-3-propan-2-ylurea has a molecular weight of 270.76 g/mol, XLogP of 2.74, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-(2-chlorophenyl)-2-methoxyethyl]-3-propan-2-ylurea is sourced from PubChem (CID 99601565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).