1-(5-chloro-2-methoxyphenyl)-3-[(2R)-2-hydroxy-3-methoxy-2-methylpropyl]urea

C13H19ClN2O4 — CID 95352044

IUPAC1-(5-chloro-2-methoxyphenyl)-3-[(2R)-2-hydroxy-3-methoxy-2-methylpropyl]urea
SMILESCOC[C@](C)(O)CNC(=O)Nc1cc(Cl)ccc1OC
InChIInChI=1S/C13H19ClN2O4/c1-13(18,8-19-2)7-15-12(17)16-10-6-9(14)4-5-11(10)20-3/h4-6,18H,7-8H2,1-3H3,(H2,15,16,17)/t13-/m1/s1
InChIKeyAZEIFSIBIHSJPV-CYBMUJFWSA-N
MW302.76 g/mol
LogP1.87
Rot. Bonds6

About 1-(5-chloro-2-methoxyphenyl)-3-[(2R)-2-hydroxy-3-methoxy-2-methylpropyl]urea

1-(5-chloro-2-methoxyphenyl)-3-[(2R)-2-hydroxy-3-methoxy-2-methylpropyl]urea (PubChem CID 95352044) has the molecular formula C13H19ClN2O4 and a molecular weight of 302.76 g/mol. Its IUPAC name is 1-(5-chloro-2-methoxyphenyl)-3-[(2R)-2-hydroxy-3-methoxy-2-methylpropyl]urea.

Molecular Properties

Compound Name1-(5-chloro-2-methoxyphenyl)-3-[(2R)-2-hydroxy-3-methoxy-2-methylpropyl]urea
PubChem CID95352044
Molecular FormulaC13H19ClN2O4
Molecular Weight302.76 g/mol
Exact Mass302.10
IUPAC Name1-(5-chloro-2-methoxyphenyl)-3-[(2R)-2-hydroxy-3-methoxy-2-methylpropyl]urea
SMILESCOC[C@](C)(O)CNC(=O)Nc1cc(Cl)ccc1OC
InChIInChI=1S/C13H19ClN2O4/c1-13(18,8-19-2)7-15-12(17)16-10-6-9(14)4-5-11(10)20-3/h4-6,18H,7-8H2,1-3H3,(H2,15,16,17)/t13-/m1/s1
InChIKeyAZEIFSIBIHSJPV-CYBMUJFWSA-N
XLogP1.87
TPSA79.82 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.76
LogP ≤ 51.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 1-(5-chloro-2-methoxyphenyl)-3-[(2R)-2-hydroxy-3-methoxy-2-methylpropyl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(5-chloro-2-methoxyphenyl)-3-[3-(furan-2-yl)-2-hydroxy-2-methylpropyl]urea
CID 90605306
methyl 2-[(5-chloro-2-methoxyphenyl)carbamoylamino]acetate
CID 108875604
1-(5-chloro-2-methoxyphenyl)-3-(cyanomethyl)urea
CID 108864649
1-(3-chlorophenyl)-3-(2-hydroxy-3-methoxy-2-methylpropyl)urea
CID 90501196
N'-(5-chloro-2-methoxyphenyl)-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)oxamide
CID 90523224
1-(2-hydroxy-3-methoxy-2-methylpropyl)-3-(2-methylphenyl)urea
CID 56724275
1-[(2S)-2-hydroxy-2-methylbutyl]-3-(2-methoxyphenyl)urea
CID 94813267
1-(5-chloro-2-methoxyphenyl)-3-[3-(diethylamino)propyl]urea
CID 108875528
1-(5-chloro-2-propoxyphenyl)-3-(2-ethyl-2-hydroxybutyl)urea
CID 56555388
1-(5-chloro-2-methoxyphenyl)-3-[2-(2-hydroxyethoxy)ethyl]urea
CID 108875526
N-(5-chloro-2-methoxyphenyl)-3-methoxy-3-methylbutanamide
CID 129040736
(2S)-2-[(5-chloro-2-methoxyphenyl)carbamoylamino]-N-propylpropanamide
CID 51928333

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-methoxyphenyl)-3-[(2R)-2-hydroxy-3-methoxy-2-methylpropyl]urea?
The IUPAC name of 1-(5-chloro-2-methoxyphenyl)-3-[(2R)-2-hydroxy-3-methoxy-2-methylpropyl]urea (CID 95352044) is 1-(5-chloro-2-methoxyphenyl)-3-[(2R)-2-hydroxy-3-methoxy-2-methylpropyl]urea.
What is the SMILES notation for 1-(5-chloro-2-methoxyphenyl)-3-[(2R)-2-hydroxy-3-methoxy-2-methylpropyl]urea?
The canonical SMILES for 1-(5-chloro-2-methoxyphenyl)-3-[(2R)-2-hydroxy-3-methoxy-2-methylpropyl]urea is COC[C@](C)(O)CNC(=O)Nc1cc(Cl)ccc1OC.
What is the InChIKey of 1-(5-chloro-2-methoxyphenyl)-3-[(2R)-2-hydroxy-3-methoxy-2-methylpropyl]urea?
The InChIKey is AZEIFSIBIHSJPV-CYBMUJFWSA-N. The full InChI is InChI=1S/C13H19ClN2O4/c1-13(18,8-19-2)7-15-12(17)16-10-6-9(14)4-5-11(10)20-3/h4-6,18H,7-8H2,1-3H3,(H2,15,16,17)/t13-/m1/s1.
What are the key properties of 1-(5-chloro-2-methoxyphenyl)-3-[(2R)-2-hydroxy-3-methoxy-2-methylpropyl]urea?
1-(5-chloro-2-methoxyphenyl)-3-[(2R)-2-hydroxy-3-methoxy-2-methylpropyl]urea has a molecular weight of 302.76 g/mol, XLogP of 1.87, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-methoxyphenyl)-3-[(2R)-2-hydroxy-3-methoxy-2-methylpropyl]urea is sourced from PubChem (CID 95352044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).