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

C13H19ClN2O2 — CID 91653056

IUPAC1-[(1R)-1-(3-chlorophenyl)ethyl]-3-[(2R)-1-hydroxybutan-2-yl]urea
SMILESCC[C@H](CO)NC(=O)N[C@H](C)c1cccc(Cl)c1
InChIInChI=1S/C13H19ClN2O2/c1-3-12(8-17)16-13(18)15-9(2)10-5-4-6-11(14)7-10/h4-7,9,12,17H,3,8H2,1-2H3,(H2,15,16,18)/t9-,12-/m1/s1
InChIKeyRHJQTCURIILAPQ-BXKDBHETSA-N
MW270.76 g/mol
LogP2.47
Rot. Bonds5

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

1-[(1R)-1-(3-chlorophenyl)ethyl]-3-[(2R)-1-hydroxybutan-2-yl]urea (PubChem CID 91653056) has the molecular formula C13H19ClN2O2 and a molecular weight of 270.76 g/mol. Its IUPAC name is 1-[(1R)-1-(3-chlorophenyl)ethyl]-3-[(2R)-1-hydroxybutan-2-yl]urea.

Molecular Properties

Compound Name1-[(1R)-1-(3-chlorophenyl)ethyl]-3-[(2R)-1-hydroxybutan-2-yl]urea
PubChem CID91653056
Molecular FormulaC13H19ClN2O2
Molecular Weight270.76 g/mol
Exact Mass270.11
IUPAC Name1-[(1R)-1-(3-chlorophenyl)ethyl]-3-[(2R)-1-hydroxybutan-2-yl]urea
SMILESCC[C@H](CO)NC(=O)N[C@H](C)c1cccc(Cl)c1
InChIInChI=1S/C13H19ClN2O2/c1-3-12(8-17)16-13(18)15-9(2)10-5-4-6-11(14)7-10/h4-7,9,12,17H,3,8H2,1-2H3,(H2,15,16,18)/t9-,12-/m1/s1
InChIKeyRHJQTCURIILAPQ-BXKDBHETSA-N
XLogP2.47
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.76
LogP ≤ 52.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-(3-chlorophenyl)ethyl]-3-[(2R)-1-hydroxybutan-2-yl]urea?
The IUPAC name of 1-[(1R)-1-(3-chlorophenyl)ethyl]-3-[(2R)-1-hydroxybutan-2-yl]urea (CID 91653056) is 1-[(1R)-1-(3-chlorophenyl)ethyl]-3-[(2R)-1-hydroxybutan-2-yl]urea.
What is the SMILES notation for 1-[(1R)-1-(3-chlorophenyl)ethyl]-3-[(2R)-1-hydroxybutan-2-yl]urea?
The canonical SMILES for 1-[(1R)-1-(3-chlorophenyl)ethyl]-3-[(2R)-1-hydroxybutan-2-yl]urea is CC[C@H](CO)NC(=O)N[C@H](C)c1cccc(Cl)c1.
What is the InChIKey of 1-[(1R)-1-(3-chlorophenyl)ethyl]-3-[(2R)-1-hydroxybutan-2-yl]urea?
The InChIKey is RHJQTCURIILAPQ-BXKDBHETSA-N. The full InChI is InChI=1S/C13H19ClN2O2/c1-3-12(8-17)16-13(18)15-9(2)10-5-4-6-11(14)7-10/h4-7,9,12,17H,3,8H2,1-2H3,(H2,15,16,18)/t9-,12-/m1/s1.
What are the key properties of 1-[(1R)-1-(3-chlorophenyl)ethyl]-3-[(2R)-1-hydroxybutan-2-yl]urea?
1-[(1R)-1-(3-chlorophenyl)ethyl]-3-[(2R)-1-hydroxybutan-2-yl]urea has a molecular weight of 270.76 g/mol, XLogP of 2.47, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-(3-chlorophenyl)ethyl]-3-[(2R)-1-hydroxybutan-2-yl]urea is sourced from PubChem (CID 91653056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).