1-(3-chlorophenyl)-3-[3-[[(2S)-oxolan-2-yl]methoxy]phenyl]urea

C18H19ClN2O3 — CID 41445173

IUPAC1-(3-chlorophenyl)-3-[3-[[(2S)-oxolan-2-yl]methoxy]phenyl]urea
SMILESO=C(Nc1cccc(Cl)c1)Nc1cccc(OC[C@@H]2CCCO2)c1
InChIInChI=1S/C18H19ClN2O3/c19-13-4-1-5-14(10-13)20-18(22)21-15-6-2-7-16(11-15)24-12-17-8-3-9-23-17/h1-2,4-7,10-11,17H,3,8-9,12H2,(H2,20,21,22)/t17-/m0/s1
InChIKeyIGLLDTGOOGHOML-KRWDZBQOSA-N
MW346.81 g/mol
LogP4.54
Rot. Bonds5

About 1-(3-chlorophenyl)-3-[3-[[(2S)-oxolan-2-yl]methoxy]phenyl]urea

1-(3-chlorophenyl)-3-[3-[[(2S)-oxolan-2-yl]methoxy]phenyl]urea (PubChem CID 41445173) has the molecular formula C18H19ClN2O3 and a molecular weight of 346.81 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-3-[3-[[(2S)-oxolan-2-yl]methoxy]phenyl]urea.

Molecular Properties

Compound Name1-(3-chlorophenyl)-3-[3-[[(2S)-oxolan-2-yl]methoxy]phenyl]urea
PubChem CID41445173
Molecular FormulaC18H19ClN2O3
Molecular Weight346.81 g/mol
Exact Mass346.11
IUPAC Name1-(3-chlorophenyl)-3-[3-[[(2S)-oxolan-2-yl]methoxy]phenyl]urea
SMILESO=C(Nc1cccc(Cl)c1)Nc1cccc(OC[C@@H]2CCCO2)c1
InChIInChI=1S/C18H19ClN2O3/c19-13-4-1-5-14(10-13)20-18(22)21-15-6-2-7-16(11-15)24-12-17-8-3-9-23-17/h1-2,4-7,10-11,17H,3,8-9,12H2,(H2,20,21,22)/t17-/m0/s1
InChIKeyIGLLDTGOOGHOML-KRWDZBQOSA-N
XLogP4.54
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.81
LogP ≤ 54.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-chlorophenyl)-3-[3-[[(2R)-oxolan-2-yl]methoxy]phenyl]urea
CID 41445181
1-cyclopropyl-3-[3-(oxolan-2-ylmethoxy)phenyl]urea
CID 47162446
2-(4-chlorophenoxy)-N-[3-[[(2S)-oxolan-2-yl]methoxy]phenyl]acetamide
CID 41444851
2-(4-chloroanilino)-N-[3-(oxolan-2-ylmethoxy)phenyl]acetamide
CID 54810381
2-(4-chloro-2-methylphenoxy)-N-[3-[[(2S)-oxolan-2-yl]methoxy]phenyl]acetamide
CID 41444899
2-amino-N-[3-(oxolan-2-ylmethoxy)phenyl]acetamide
CID 119284095
N-(3,5-dichlorophenyl)-3-[[(2S)-oxolan-2-yl]methoxy]benzamide
CID 33498591
1-(3-chlorophenyl)-3-[3-(oxolan-2-ylmethoxy)propyl]urea
CID 17423697
1-(3-chlorophenyl)-3-[3-[[(2R)-oxolan-2-yl]methoxy]propyl]urea
CID 40881802
N-(4-chlorophenyl)-2-[3-(oxolan-2-ylmethoxy)anilino]acetamide
CID 54829242
4-[[[3-(oxolan-2-ylmethoxy)phenyl]carbamoylamino]methyl]benzoic acid
CID 122075807
3-acetamido-N-[3-(oxolan-2-ylmethoxy)phenyl]benzamide
CID 46802911

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-3-[3-[[(2S)-oxolan-2-yl]methoxy]phenyl]urea?
The IUPAC name of 1-(3-chlorophenyl)-3-[3-[[(2S)-oxolan-2-yl]methoxy]phenyl]urea (CID 41445173) is 1-(3-chlorophenyl)-3-[3-[[(2S)-oxolan-2-yl]methoxy]phenyl]urea.
What is the SMILES notation for 1-(3-chlorophenyl)-3-[3-[[(2S)-oxolan-2-yl]methoxy]phenyl]urea?
The canonical SMILES for 1-(3-chlorophenyl)-3-[3-[[(2S)-oxolan-2-yl]methoxy]phenyl]urea is O=C(Nc1cccc(Cl)c1)Nc1cccc(OC[C@@H]2CCCO2)c1.
What is the InChIKey of 1-(3-chlorophenyl)-3-[3-[[(2S)-oxolan-2-yl]methoxy]phenyl]urea?
The InChIKey is IGLLDTGOOGHOML-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H19ClN2O3/c19-13-4-1-5-14(10-13)20-18(22)21-15-6-2-7-16(11-15)24-12-17-8-3-9-23-17/h1-2,4-7,10-11,17H,3,8-9,12H2,(H2,20,21,22)/t17-/m0/s1.
What are the key properties of 1-(3-chlorophenyl)-3-[3-[[(2S)-oxolan-2-yl]methoxy]phenyl]urea?
1-(3-chlorophenyl)-3-[3-[[(2S)-oxolan-2-yl]methoxy]phenyl]urea has a molecular weight of 346.81 g/mol, XLogP of 4.54, 5 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-[[(2S)-oxolan-2-yl]methoxy]phenyl]urea is sourced from PubChem (CID 41445173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).