1-(3-chlorophenyl)-3-[3-[[(2R)-oxolan-2-yl]methoxy]propyl]urea

C15H21ClN2O3 — CID 40881802

IUPAC1-(3-chlorophenyl)-3-[3-[[(2R)-oxolan-2-yl]methoxy]propyl]urea
SMILESO=C(NCCCOC[C@H]1CCCO1)Nc1cccc(Cl)c1
InChIInChI=1S/C15H21ClN2O3/c16-12-4-1-5-13(10-12)18-15(19)17-7-3-8-20-11-14-6-2-9-21-14/h1,4-5,10,14H,2-3,6-9,11H2,(H2,17,18,19)/t14-/m1/s1
InChIKeyZEFUVYOZUSSOPD-CQSZACIVSA-N
MW312.80 g/mol
LogP3.05
Rot. Bonds7

About 1-(3-chlorophenyl)-3-[3-[[(2R)-oxolan-2-yl]methoxy]propyl]urea

1-(3-chlorophenyl)-3-[3-[[(2R)-oxolan-2-yl]methoxy]propyl]urea (PubChem CID 40881802) has the molecular formula C15H21ClN2O3 and a molecular weight of 312.80 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-3-[3-[[(2R)-oxolan-2-yl]methoxy]propyl]urea.

Molecular Properties

Compound Name1-(3-chlorophenyl)-3-[3-[[(2R)-oxolan-2-yl]methoxy]propyl]urea
PubChem CID40881802
Molecular FormulaC15H21ClN2O3
Molecular Weight312.80 g/mol
Exact Mass312.12
IUPAC Name1-(3-chlorophenyl)-3-[3-[[(2R)-oxolan-2-yl]methoxy]propyl]urea
SMILESO=C(NCCCOC[C@H]1CCCO1)Nc1cccc(Cl)c1
InChIInChI=1S/C15H21ClN2O3/c16-12-4-1-5-13(10-12)18-15(19)17-7-3-8-20-11-14-6-2-9-21-14/h1,4-5,10,14H,2-3,6-9,11H2,(H2,17,18,19)/t14-/m1/s1
InChIKeyZEFUVYOZUSSOPD-CQSZACIVSA-N
XLogP3.05
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.80
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(3-chlorophenyl)-3-[3-(oxolan-2-ylmethoxy)propyl]urea
CID 17423697
1-(4-chlorophenyl)-3-[3-[[(2R)-oxolan-2-yl]methoxy]propyl]urea
CID 40798942
1-(3-chlorophenyl)-3-[3-[[(2R)-oxolan-2-yl]methoxy]phenyl]urea
CID 41445181
1-(3-chlorophenyl)-3-[3-[[(2S)-oxolan-2-yl]methoxy]phenyl]urea
CID 41445173
1-(4-fluorophenyl)-3-[3-(oxolan-2-ylmethoxy)propyl]urea
CID 18101613
1-(3-methyl-4-pyrrolidin-1-ylphenyl)-3-[3-[[(2S)-oxolan-2-yl]methoxy]propyl]urea
CID 95595268
1-[2-(3-chlorophenyl)ethyl]-2-methyl-3-[3-(oxolan-2-ylmethoxy)propyl]guanidine
CID 111358528
1-(2-fluorophenyl)-3-[3-[[(2S)-oxolan-2-yl]methoxy]propyl]urea
CID 40881806
N-(3-chlorophenyl)-2-(oxolan-2-yl)acetamide
CID 47209133
4-[(3-chlorophenyl)carbamoylamino]-N-(oxolan-2-ylmethyl)benzamide
CID 17205676
1-(2-methoxyphenyl)-3-[3-[[(2R)-oxolan-2-yl]methoxy]propyl]urea
CID 27734061
N-[3-[[(2S)-oxolan-2-yl]methoxy]propyl]benzamide
CID 94598600

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-3-[3-[[(2R)-oxolan-2-yl]methoxy]propyl]urea?
The IUPAC name of 1-(3-chlorophenyl)-3-[3-[[(2R)-oxolan-2-yl]methoxy]propyl]urea (CID 40881802) is 1-(3-chlorophenyl)-3-[3-[[(2R)-oxolan-2-yl]methoxy]propyl]urea.
What is the SMILES notation for 1-(3-chlorophenyl)-3-[3-[[(2R)-oxolan-2-yl]methoxy]propyl]urea?
The canonical SMILES for 1-(3-chlorophenyl)-3-[3-[[(2R)-oxolan-2-yl]methoxy]propyl]urea is O=C(NCCCOC[C@H]1CCCO1)Nc1cccc(Cl)c1.
What is the InChIKey of 1-(3-chlorophenyl)-3-[3-[[(2R)-oxolan-2-yl]methoxy]propyl]urea?
The InChIKey is ZEFUVYOZUSSOPD-CQSZACIVSA-N. The full InChI is InChI=1S/C15H21ClN2O3/c16-12-4-1-5-13(10-12)18-15(19)17-7-3-8-20-11-14-6-2-9-21-14/h1,4-5,10,14H,2-3,6-9,11H2,(H2,17,18,19)/t14-/m1/s1.
What are the key properties of 1-(3-chlorophenyl)-3-[3-[[(2R)-oxolan-2-yl]methoxy]propyl]urea?
1-(3-chlorophenyl)-3-[3-[[(2R)-oxolan-2-yl]methoxy]propyl]urea has a molecular weight of 312.80 g/mol, XLogP of 3.05, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-3-[3-[[(2R)-oxolan-2-yl]methoxy]propyl]urea is sourced from PubChem (CID 40881802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).