1-[1-(3-chlorophenyl)ethyl]-1-methyl-3-(oxolan-3-yl)urea

C14H19ClN2O2 — CID 115759275

IUPAC1-[1-(3-chlorophenyl)ethyl]-1-methyl-3-(oxolan-3-yl)urea
SMILESCC(c1cccc(Cl)c1)N(C)C(=O)NC1CCOC1
InChIInChI=1S/C14H19ClN2O2/c1-10(11-4-3-5-12(15)8-11)17(2)14(18)16-13-6-7-19-9-13/h3-5,8,10,13H,6-7,9H2,1-2H3,(H,16,18)
InChIKeyCDXHEQUBVWMNOG-UHFFFAOYSA-N
MW282.77 g/mol
LogP2.83
Rot. Bonds3

About 1-[1-(3-chlorophenyl)ethyl]-1-methyl-3-(oxolan-3-yl)urea

1-[1-(3-chlorophenyl)ethyl]-1-methyl-3-(oxolan-3-yl)urea (PubChem CID 115759275) has the molecular formula C14H19ClN2O2 and a molecular weight of 282.77 g/mol. Its IUPAC name is 1-[1-(3-chlorophenyl)ethyl]-1-methyl-3-(oxolan-3-yl)urea.

Molecular Properties

Compound Name1-[1-(3-chlorophenyl)ethyl]-1-methyl-3-(oxolan-3-yl)urea
PubChem CID115759275
Molecular FormulaC14H19ClN2O2
Molecular Weight282.77 g/mol
Exact Mass282.11
IUPAC Name1-[1-(3-chlorophenyl)ethyl]-1-methyl-3-(oxolan-3-yl)urea
SMILESCC(c1cccc(Cl)c1)N(C)C(=O)NC1CCOC1
InChIInChI=1S/C14H19ClN2O2/c1-10(11-4-3-5-12(15)8-11)17(2)14(18)16-13-6-7-19-9-13/h3-5,8,10,13H,6-7,9H2,1-2H3,(H,16,18)
InChIKeyCDXHEQUBVWMNOG-UHFFFAOYSA-N
XLogP2.83
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.77
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-(3-chlorophenyl)ethyl]-3-cyclopropyl-1-methylurea
CID 47306886
2-[1-(3-chlorophenyl)ethyl-methylamino]-1-(oxolan-3-yl)ethanone
CID 104750700
N-[1-(3-chlorophenyl)ethyl]-N-methylmorpholine-4-carboxamide
CID 115589168
3-(3-aminophenyl)-1-[1-(3-chlorophenyl)ethyl]-1-methylurea
CID 62985968
2-[1-(3-chlorophenyl)ethylamino]-N-(oxan-4-yl)acetamide
CID 63098158
3-[1-(3-chlorophenyl)ethyl]-1-cyclopropyl-1-(oxolan-3-ylmethyl)urea
CID 86999635
(2R)-1-[1-(3-chlorophenyl)ethyl-methylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 78923305
1,1-dimethyl-3-(oxolan-3-yl)urea
CID 110868817
N-[1-(3-chlorophenyl)ethyl]oxane-4-carboxamide
CID 51073080
2-[[1-(3-chlorophenyl)ethyl-methylcarbamoyl]-methylamino]acetic acid
CID 62983892
N-[1-(3-chlorophenyl)ethyl]-N-methylazepane-1-carboxamide
CID 116655792
(2S)-2-[[1-(3-chlorophenyl)ethyl-methylcarbamoyl]amino]pentanoic acid
CID 107566911

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-chlorophenyl)ethyl]-1-methyl-3-(oxolan-3-yl)urea?
The IUPAC name of 1-[1-(3-chlorophenyl)ethyl]-1-methyl-3-(oxolan-3-yl)urea (CID 115759275) is 1-[1-(3-chlorophenyl)ethyl]-1-methyl-3-(oxolan-3-yl)urea.
What is the SMILES notation for 1-[1-(3-chlorophenyl)ethyl]-1-methyl-3-(oxolan-3-yl)urea?
The canonical SMILES for 1-[1-(3-chlorophenyl)ethyl]-1-methyl-3-(oxolan-3-yl)urea is CC(c1cccc(Cl)c1)N(C)C(=O)NC1CCOC1.
What is the InChIKey of 1-[1-(3-chlorophenyl)ethyl]-1-methyl-3-(oxolan-3-yl)urea?
The InChIKey is CDXHEQUBVWMNOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O2/c1-10(11-4-3-5-12(15)8-11)17(2)14(18)16-13-6-7-19-9-13/h3-5,8,10,13H,6-7,9H2,1-2H3,(H,16,18).
What are the key properties of 1-[1-(3-chlorophenyl)ethyl]-1-methyl-3-(oxolan-3-yl)urea?
1-[1-(3-chlorophenyl)ethyl]-1-methyl-3-(oxolan-3-yl)urea has a molecular weight of 282.77 g/mol, XLogP of 2.83, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-chlorophenyl)ethyl]-1-methyl-3-(oxolan-3-yl)urea is sourced from PubChem (CID 115759275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).