1-[2-(4-chlorophenyl)propan-2-yl]-3-(oxolan-2-ylmethyl)urea

C15H21ClN2O2 — CID 113216252

IUPAC1-[2-(4-chlorophenyl)propan-2-yl]-3-(oxolan-2-ylmethyl)urea
SMILESCC(C)(NC(=O)NCC1CCCO1)c1ccc(Cl)cc1
InChIInChI=1S/C15H21ClN2O2/c1-15(2,11-5-7-12(16)8-6-11)18-14(19)17-10-13-4-3-9-20-13/h5-8,13H,3-4,9-10H2,1-2H3,(H2,17,18,19)
InChIKeyHFWGHNHVUAFCIN-UHFFFAOYSA-N
MW296.80 g/mol
LogP3.05
Rot. Bonds4

About 1-[2-(4-chlorophenyl)propan-2-yl]-3-(oxolan-2-ylmethyl)urea

1-[2-(4-chlorophenyl)propan-2-yl]-3-(oxolan-2-ylmethyl)urea (PubChem CID 113216252) has the molecular formula C15H21ClN2O2 and a molecular weight of 296.80 g/mol. Its IUPAC name is 1-[2-(4-chlorophenyl)propan-2-yl]-3-(oxolan-2-ylmethyl)urea.

Molecular Properties

Compound Name1-[2-(4-chlorophenyl)propan-2-yl]-3-(oxolan-2-ylmethyl)urea
PubChem CID113216252
Molecular FormulaC15H21ClN2O2
Molecular Weight296.80 g/mol
Exact Mass296.13
IUPAC Name1-[2-(4-chlorophenyl)propan-2-yl]-3-(oxolan-2-ylmethyl)urea
SMILESCC(C)(NC(=O)NCC1CCCO1)c1ccc(Cl)cc1
InChIInChI=1S/C15H21ClN2O2/c1-15(2,11-5-7-12(16)8-6-11)18-14(19)17-10-13-4-3-9-20-13/h5-8,13H,3-4,9-10H2,1-2H3,(H2,17,18,19)
InChIKeyHFWGHNHVUAFCIN-UHFFFAOYSA-N
XLogP3.05
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 ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(oxolan-2-ylmethylcarbamoylamino)-2-phenylpropanoic acid
CID 16786304
1-[1-(4-chlorophenyl)propyl]-3-(oxolan-2-ylmethyl)urea
CID 17182016
1-[2-methyl-2-(4-methylphenyl)propyl]-3-(oxolan-2-ylmethyl)urea
CID 113214152
1-(5-chloro-2-methylphenyl)-3-[[(2R)-oxolan-2-yl]methyl]urea
CID 51427378
2-methyl-2-(4-methylphenyl)-N-(oxolan-2-ylmethyl)propanamide
CID 113198023
1-(4-chloro-2-fluorophenyl)-3-[[(2R)-oxolan-2-yl]methyl]urea
CID 28946591
3-(4-chlorophenyl)-4-methyl-N-(oxolan-2-ylmethyl)pentanamide
CID 110297555
4-[[2-(4-chlorophenyl)acetyl]amino]-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 42427432
1-[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-3-(oxolan-2-ylmethyl)urea
CID 18564498
1-(3,5-dichlorophenyl)-3-(oxolan-2-ylmethyl)urea
CID 6466967
(E)-3-(4-chlorophenyl)-N-[[(2S)-oxolan-2-yl]methyl]prop-2-enamide
CID 825443
4-tert-butyl-N-(oxolan-2-ylmethylcarbamothioyl)benzamide
CID 2947452

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-chlorophenyl)propan-2-yl]-3-(oxolan-2-ylmethyl)urea?
The IUPAC name of 1-[2-(4-chlorophenyl)propan-2-yl]-3-(oxolan-2-ylmethyl)urea (CID 113216252) is 1-[2-(4-chlorophenyl)propan-2-yl]-3-(oxolan-2-ylmethyl)urea.
What is the SMILES notation for 1-[2-(4-chlorophenyl)propan-2-yl]-3-(oxolan-2-ylmethyl)urea?
The canonical SMILES for 1-[2-(4-chlorophenyl)propan-2-yl]-3-(oxolan-2-ylmethyl)urea is CC(C)(NC(=O)NCC1CCCO1)c1ccc(Cl)cc1.
What is the InChIKey of 1-[2-(4-chlorophenyl)propan-2-yl]-3-(oxolan-2-ylmethyl)urea?
The InChIKey is HFWGHNHVUAFCIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O2/c1-15(2,11-5-7-12(16)8-6-11)18-14(19)17-10-13-4-3-9-20-13/h5-8,13H,3-4,9-10H2,1-2H3,(H2,17,18,19).
What are the key properties of 1-[2-(4-chlorophenyl)propan-2-yl]-3-(oxolan-2-ylmethyl)urea?
1-[2-(4-chlorophenyl)propan-2-yl]-3-(oxolan-2-ylmethyl)urea has a molecular weight of 296.80 g/mol, XLogP of 3.05, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-chlorophenyl)propan-2-yl]-3-(oxolan-2-ylmethyl)urea is sourced from PubChem (CID 113216252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).