3-(2-chlorophenyl)-1-(2-hydroxy-3-phenylmethoxypropyl)-1-methylurea

C18H21ClN2O3 — CID 47079416

IUPAC3-(2-chlorophenyl)-1-(2-hydroxy-3-phenylmethoxypropyl)-1-methylurea
SMILESCN(CC(O)COCc1ccccc1)C(=O)Nc1ccccc1Cl
InChIInChI=1S/C18H21ClN2O3/c1-21(18(23)20-17-10-6-5-9-16(17)19)11-15(22)13-24-12-14-7-3-2-4-8-14/h2-10,15,22H,11-13H2,1H3,(H,20,23)
InChIKeyGKUICGMTXGTMNH-UHFFFAOYSA-N
MW348.83 g/mol
LogP3.38
Rot. Bonds7

About 3-(2-chlorophenyl)-1-(2-hydroxy-3-phenylmethoxypropyl)-1-methylurea

3-(2-chlorophenyl)-1-(2-hydroxy-3-phenylmethoxypropyl)-1-methylurea (PubChem CID 47079416) has the molecular formula C18H21ClN2O3 and a molecular weight of 348.83 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-1-(2-hydroxy-3-phenylmethoxypropyl)-1-methylurea.

Molecular Properties

Compound Name3-(2-chlorophenyl)-1-(2-hydroxy-3-phenylmethoxypropyl)-1-methylurea
PubChem CID47079416
Molecular FormulaC18H21ClN2O3
Molecular Weight348.83 g/mol
Exact Mass348.12
IUPAC Name3-(2-chlorophenyl)-1-(2-hydroxy-3-phenylmethoxypropyl)-1-methylurea
SMILESCN(CC(O)COCc1ccccc1)C(=O)Nc1ccccc1Cl
InChIInChI=1S/C18H21ClN2O3/c1-21(18(23)20-17-10-6-5-9-16(17)19)11-15(22)13-24-12-14-7-3-2-4-8-14/h2-10,15,22H,11-13H2,1H3,(H,20,23)
InChIKeyGKUICGMTXGTMNH-UHFFFAOYSA-N
XLogP3.38
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.83
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-acetylphenyl)-1-[(2S)-2-hydroxy-3-phenylmethoxypropyl]-1-methylurea
CID 52511984
3-(1-ethylpyrazol-4-yl)-1-(2-hydroxy-3-phenylmethoxypropyl)-1-methylurea
CID 47079454
4-[(2-hydroxy-3-phenylmethoxypropyl)-methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 120673100
3-(2,5-dichlorophenyl)-1-(2-hydroxy-3-methoxypropyl)-1-methylurea
CID 54979402
6-[(2-hydroxy-3-phenylmethoxypropyl)-methylcarbamoyl]pyridine-2-carboxylic acid
CID 119182403
N-(2-hydroxy-3-phenylmethoxypropyl)-N-methylbicyclo[3.1.0]hexane-6-carboxamide
CID 111781995
N-(2-hydroxy-3-phenylmethoxypropyl)-N,4-dimethylthiophene-3-carboxamide
CID 111781993
2-chloro-6-[[2-hydroxypropyl(methyl)carbamoyl]amino]benzoic acid
CID 63722971
3-(2-tert-butylphenyl)-1-(2-hydroxy-3-methoxypropyl)-1-methylurea
CID 110903895
1-[methyl(propyl)amino]-3-phenylmethoxypropan-2-ol
CID 62064652
N-(2-hydroxy-3-phenylmethoxypropyl)-N,2,5-trimethylfuran-3-carboxamide
CID 111595929
methyl 4-[(2-hydroxy-3-phenylmethoxypropyl)-methylamino]benzoate
CID 3810253

Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-1-(2-hydroxy-3-phenylmethoxypropyl)-1-methylurea?
The IUPAC name of 3-(2-chlorophenyl)-1-(2-hydroxy-3-phenylmethoxypropyl)-1-methylurea (CID 47079416) is 3-(2-chlorophenyl)-1-(2-hydroxy-3-phenylmethoxypropyl)-1-methylurea.
What is the SMILES notation for 3-(2-chlorophenyl)-1-(2-hydroxy-3-phenylmethoxypropyl)-1-methylurea?
The canonical SMILES for 3-(2-chlorophenyl)-1-(2-hydroxy-3-phenylmethoxypropyl)-1-methylurea is CN(CC(O)COCc1ccccc1)C(=O)Nc1ccccc1Cl.
What is the InChIKey of 3-(2-chlorophenyl)-1-(2-hydroxy-3-phenylmethoxypropyl)-1-methylurea?
The InChIKey is GKUICGMTXGTMNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O3/c1-21(18(23)20-17-10-6-5-9-16(17)19)11-15(22)13-24-12-14-7-3-2-4-8-14/h2-10,15,22H,11-13H2,1H3,(H,20,23).
What are the key properties of 3-(2-chlorophenyl)-1-(2-hydroxy-3-phenylmethoxypropyl)-1-methylurea?
3-(2-chlorophenyl)-1-(2-hydroxy-3-phenylmethoxypropyl)-1-methylurea has a molecular weight of 348.83 g/mol, XLogP of 3.38, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-1-(2-hydroxy-3-phenylmethoxypropyl)-1-methylurea is sourced from PubChem (CID 47079416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).