1-(5-chloro-2-methylphenyl)-3-[[(2R)-oxolan-2-yl]methyl]urea

C13H17ClN2O2 — CID 51427378

IUPAC1-(5-chloro-2-methylphenyl)-3-[[(2R)-oxolan-2-yl]methyl]urea
SMILESCc1ccc(Cl)cc1NC(=O)NC[C@H]1CCCO1
InChIInChI=1S/C13H17ClN2O2/c1-9-4-5-10(14)7-12(9)16-13(17)15-8-11-3-2-6-18-11/h4-5,7,11H,2-3,6,8H2,1H3,(H2,15,16,17)/t11-/m1/s1
InChIKeyOHKUZLCIVZNZNE-LLVKDONJSA-N
MW268.74 g/mol
LogP2.95
Rot. Bonds3

About 1-(5-chloro-2-methylphenyl)-3-[[(2R)-oxolan-2-yl]methyl]urea

1-(5-chloro-2-methylphenyl)-3-[[(2R)-oxolan-2-yl]methyl]urea (PubChem CID 51427378) has the molecular formula C13H17ClN2O2 and a molecular weight of 268.74 g/mol. Its IUPAC name is 1-(5-chloro-2-methylphenyl)-3-[[(2R)-oxolan-2-yl]methyl]urea.

Molecular Properties

Compound Name1-(5-chloro-2-methylphenyl)-3-[[(2R)-oxolan-2-yl]methyl]urea
PubChem CID51427378
Molecular FormulaC13H17ClN2O2
Molecular Weight268.74 g/mol
Exact Mass268.10
IUPAC Name1-(5-chloro-2-methylphenyl)-3-[[(2R)-oxolan-2-yl]methyl]urea
SMILESCc1ccc(Cl)cc1NC(=O)NC[C@H]1CCCO1
InChIInChI=1S/C13H17ClN2O2/c1-9-4-5-10(14)7-12(9)16-13(17)15-8-11-3-2-6-18-11/h4-5,7,11H,2-3,6,8H2,1H3,(H2,15,16,17)/t11-/m1/s1
InChIKeyOHKUZLCIVZNZNE-LLVKDONJSA-N
XLogP2.95
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.74
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-chloro-2-fluorophenyl)-3-[[(2R)-oxolan-2-yl]methyl]urea
CID 28946591
1-(2,4-dimethylphenyl)-3-(oxolan-2-ylmethyl)urea
CID 6467733
1-(4-chloro-2-methoxy-5-methylphenyl)-3-(oxolan-2-ylmethyl)urea
CID 47196268
N-(5-chloro-2-methylphenyl)-3-[[(2S)-oxolan-2-yl]methoxy]propanamide
CID 94025746
1-(3,5-dichlorophenyl)-3-(oxolan-2-ylmethyl)urea
CID 6466967
methyl 4-chloro-3-(oxolan-2-ylmethylcarbamoylamino)benzoate
CID 110706569
1-(2-ethylphenyl)-3-(oxolan-2-ylmethyl)urea
CID 3764609
1-(4-chloro-2-methylphenyl)-3-[[(2R)-oxolan-2-yl]methyl]thiourea
CID 799811
3-(2,5-dichloroanilino)-N-(oxolan-2-ylmethyl)propanamide
CID 109015968
1-(4-bromo-2-fluorophenyl)-3-(oxolan-2-ylmethyl)urea
CID 47194342
N'-(2,4-dichlorophenyl)-N-(oxolan-2-ylmethyl)propanediamide
CID 108943767
1-(4-chloro-3-fluorophenyl)-3-(oxolan-2-ylmethyl)urea
CID 47223543

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-methylphenyl)-3-[[(2R)-oxolan-2-yl]methyl]urea?
The IUPAC name of 1-(5-chloro-2-methylphenyl)-3-[[(2R)-oxolan-2-yl]methyl]urea (CID 51427378) is 1-(5-chloro-2-methylphenyl)-3-[[(2R)-oxolan-2-yl]methyl]urea.
What is the SMILES notation for 1-(5-chloro-2-methylphenyl)-3-[[(2R)-oxolan-2-yl]methyl]urea?
The canonical SMILES for 1-(5-chloro-2-methylphenyl)-3-[[(2R)-oxolan-2-yl]methyl]urea is Cc1ccc(Cl)cc1NC(=O)NC[C@H]1CCCO1.
What is the InChIKey of 1-(5-chloro-2-methylphenyl)-3-[[(2R)-oxolan-2-yl]methyl]urea?
The InChIKey is OHKUZLCIVZNZNE-LLVKDONJSA-N. The full InChI is InChI=1S/C13H17ClN2O2/c1-9-4-5-10(14)7-12(9)16-13(17)15-8-11-3-2-6-18-11/h4-5,7,11H,2-3,6,8H2,1H3,(H2,15,16,17)/t11-/m1/s1.
What are the key properties of 1-(5-chloro-2-methylphenyl)-3-[[(2R)-oxolan-2-yl]methyl]urea?
1-(5-chloro-2-methylphenyl)-3-[[(2R)-oxolan-2-yl]methyl]urea has a molecular weight of 268.74 g/mol, XLogP of 2.95, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-methylphenyl)-3-[[(2R)-oxolan-2-yl]methyl]urea is sourced from PubChem (CID 51427378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).