1-[(2R)-butan-2-yl]-3-(3-chlorophenyl)urea

C11H15ClN2O — CID 1376673

IUPAC1-[(2R)-butan-2-yl]-3-(3-chlorophenyl)urea
SMILESCC[C@@H](C)NC(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C11H15ClN2O/c1-3-8(2)13-11(15)14-10-6-4-5-9(12)7-10/h4-8H,3H2,1-2H3,(H2,13,14,15)/t8-/m1/s1
InChIKeyJAKSUJDWQPNXFP-MRVPVSSYSA-N
MW226.71 g/mol
LogP3.26
Rot. Bonds3

About 1-[(2R)-butan-2-yl]-3-(3-chlorophenyl)urea

1-[(2R)-butan-2-yl]-3-(3-chlorophenyl)urea (PubChem CID 1376673) has the molecular formula C11H15ClN2O and a molecular weight of 226.71 g/mol. Its IUPAC name is 1-[(2R)-butan-2-yl]-3-(3-chlorophenyl)urea.

Molecular Properties

Compound Name1-[(2R)-butan-2-yl]-3-(3-chlorophenyl)urea
PubChem CID1376673
Molecular FormulaC11H15ClN2O
Molecular Weight226.71 g/mol
Exact Mass226.09
IUPAC Name1-[(2R)-butan-2-yl]-3-(3-chlorophenyl)urea
SMILESCC[C@@H](C)NC(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C11H15ClN2O/c1-3-8(2)13-11(15)14-10-6-4-5-9(12)7-10/h4-8H,3H2,1-2H3,(H2,13,14,15)/t8-/m1/s1
InChIKeyJAKSUJDWQPNXFP-MRVPVSSYSA-N
XLogP3.26
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.71
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

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1-butan-2-yl-3-(3-cyanophenyl)urea
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Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-butan-2-yl]-3-(3-chlorophenyl)urea?
The IUPAC name of 1-[(2R)-butan-2-yl]-3-(3-chlorophenyl)urea (CID 1376673) is 1-[(2R)-butan-2-yl]-3-(3-chlorophenyl)urea.
What is the SMILES notation for 1-[(2R)-butan-2-yl]-3-(3-chlorophenyl)urea?
The canonical SMILES for 1-[(2R)-butan-2-yl]-3-(3-chlorophenyl)urea is CC[C@@H](C)NC(=O)Nc1cccc(Cl)c1.
What is the InChIKey of 1-[(2R)-butan-2-yl]-3-(3-chlorophenyl)urea?
The InChIKey is JAKSUJDWQPNXFP-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H15ClN2O/c1-3-8(2)13-11(15)14-10-6-4-5-9(12)7-10/h4-8H,3H2,1-2H3,(H2,13,14,15)/t8-/m1/s1.
What are the key properties of 1-[(2R)-butan-2-yl]-3-(3-chlorophenyl)urea?
1-[(2R)-butan-2-yl]-3-(3-chlorophenyl)urea has a molecular weight of 226.71 g/mol, XLogP of 3.26, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-butan-2-yl]-3-(3-chlorophenyl)urea is sourced from PubChem (CID 1376673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).