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

C15H21ClN2O2 — CID 46486147

IUPAC1-[1-(2-chlorophenyl)ethyl]-3-[1-(oxolan-2-yl)ethyl]urea
SMILESCC(NC(=O)NC(C)C1CCCO1)c1ccccc1Cl
InChIInChI=1S/C15H21ClN2O2/c1-10(12-6-3-4-7-13(12)16)17-15(19)18-11(2)14-8-5-9-20-14/h3-4,6-7,10-11,14H,5,8-9H2,1-2H3,(H2,17,18,19)
InChIKeyFOLXYVKRACBRSI-UHFFFAOYSA-N
MW296.80 g/mol
LogP3.27
Rot. Bonds4

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

1-[1-(2-chlorophenyl)ethyl]-3-[1-(oxolan-2-yl)ethyl]urea (PubChem CID 46486147) has the molecular formula C15H21ClN2O2 and a molecular weight of 296.80 g/mol. Its IUPAC name is 1-[1-(2-chlorophenyl)ethyl]-3-[1-(oxolan-2-yl)ethyl]urea.

Molecular Properties

Compound Name1-[1-(2-chlorophenyl)ethyl]-3-[1-(oxolan-2-yl)ethyl]urea
PubChem CID46486147
Molecular FormulaC15H21ClN2O2
Molecular Weight296.80 g/mol
Exact Mass296.13
IUPAC Name1-[1-(2-chlorophenyl)ethyl]-3-[1-(oxolan-2-yl)ethyl]urea
SMILESCC(NC(=O)NC(C)C1CCCO1)c1ccccc1Cl
InChIInChI=1S/C15H21ClN2O2/c1-10(12-6-3-4-7-13(12)16)17-15(19)18-11(2)14-8-5-9-20-14/h3-4,6-7,10-11,14H,5,8-9H2,1-2H3,(H2,17,18,19)
InChIKeyFOLXYVKRACBRSI-UHFFFAOYSA-N
XLogP3.27
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.80
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(1S)-1-(2-chlorophenyl)ethyl]-3-propan-2-ylurea
CID 29026170
1-[1-(1-benzofuran-2-yl)ethyl]-3-[1-(oxolan-2-yl)ethyl]urea
CID 43061447
2-amino-6-chloro-N-[1-(oxolan-2-yl)ethyl]benzamide
CID 63660237
2-chloro-6-[1-(oxolan-2-yl)ethylcarbamoylamino]benzoic acid
CID 63724489
1-[1-(oxolan-2-yl)ethyl]-3-(4-phenylbutan-2-yl)urea
CID 134006695
1-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-3-[1-(oxolan-2-yl)ethyl]urea
CID 91661831
1-[2-(2-fluorophenyl)-2-hydroxyethyl]-3-[1-(oxolan-2-yl)ethyl]urea
CID 110893460
1-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]-3-pyridin-2-ylurea
CID 94120386
2-(3,4-dichlorophenyl)-N-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]acetamide
CID 29038254
N-(2-chlorophenyl)-2-[1-(oxolan-2-yl)ethylamino]acetamide
CID 43534114
1-(2-chloro-4-methoxyphenyl)-3-[1-(oxolan-2-yl)ethyl]urea
CID 86862826
N-[1-(oxolan-2-yl)ethyl]-4-propan-2-ylbenzamide
CID 6468560

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-chlorophenyl)ethyl]-3-[1-(oxolan-2-yl)ethyl]urea?
The IUPAC name of 1-[1-(2-chlorophenyl)ethyl]-3-[1-(oxolan-2-yl)ethyl]urea (CID 46486147) is 1-[1-(2-chlorophenyl)ethyl]-3-[1-(oxolan-2-yl)ethyl]urea.
What is the SMILES notation for 1-[1-(2-chlorophenyl)ethyl]-3-[1-(oxolan-2-yl)ethyl]urea?
The canonical SMILES for 1-[1-(2-chlorophenyl)ethyl]-3-[1-(oxolan-2-yl)ethyl]urea is CC(NC(=O)NC(C)C1CCCO1)c1ccccc1Cl.
What is the InChIKey of 1-[1-(2-chlorophenyl)ethyl]-3-[1-(oxolan-2-yl)ethyl]urea?
The InChIKey is FOLXYVKRACBRSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O2/c1-10(12-6-3-4-7-13(12)16)17-15(19)18-11(2)14-8-5-9-20-14/h3-4,6-7,10-11,14H,5,8-9H2,1-2H3,(H2,17,18,19).
What are the key properties of 1-[1-(2-chlorophenyl)ethyl]-3-[1-(oxolan-2-yl)ethyl]urea?
1-[1-(2-chlorophenyl)ethyl]-3-[1-(oxolan-2-yl)ethyl]urea has a molecular weight of 296.80 g/mol, XLogP of 3.27, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-chlorophenyl)ethyl]-3-[1-(oxolan-2-yl)ethyl]urea is sourced from PubChem (CID 46486147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).