1-(3,5-dichlorophenyl)-3-[(2S)-1-hydroxypropan-2-yl]urea

C10H12Cl2N2O2 — CID 103910043

IUPAC1-(3,5-dichlorophenyl)-3-[(2S)-1-hydroxypropan-2-yl]urea
SMILESC[C@@H](CO)NC(=O)Nc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C10H12Cl2N2O2/c1-6(5-15)13-10(16)14-9-3-7(11)2-8(12)4-9/h2-4,6,15H,5H2,1H3,(H2,13,14,16)/t6-/m0/s1
InChIKeyJDLRYEQJAXLEEL-LURJTMIESA-N
MW263.12 g/mol
LogP2.50
Rot. Bonds3

About 1-(3,5-dichlorophenyl)-3-[(2S)-1-hydroxypropan-2-yl]urea

1-(3,5-dichlorophenyl)-3-[(2S)-1-hydroxypropan-2-yl]urea (PubChem CID 103910043) has the molecular formula C10H12Cl2N2O2 and a molecular weight of 263.12 g/mol. Its IUPAC name is 1-(3,5-dichlorophenyl)-3-[(2S)-1-hydroxypropan-2-yl]urea.

Molecular Properties

Compound Name1-(3,5-dichlorophenyl)-3-[(2S)-1-hydroxypropan-2-yl]urea
PubChem CID103910043
Molecular FormulaC10H12Cl2N2O2
Molecular Weight263.12 g/mol
Exact Mass262.03
IUPAC Name1-(3,5-dichlorophenyl)-3-[(2S)-1-hydroxypropan-2-yl]urea
SMILESC[C@@H](CO)NC(=O)Nc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C10H12Cl2N2O2/c1-6(5-15)13-10(16)14-9-3-7(11)2-8(12)4-9/h2-4,6,15H,5H2,1H3,(H2,13,14,16)/t6-/m0/s1
InChIKeyJDLRYEQJAXLEEL-LURJTMIESA-N
XLogP2.50
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.12
LogP ≤ 52.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,5-dichloro-4-methylphenyl)-3-(1-hydroxypropan-2-yl)urea
CID 110908088
1-(3,4-dichlorophenyl)-3-(1-hydroxypropan-2-yl)urea
CID 43417317
1-(2,5-dichlorophenyl)-3-[(2S)-1-hydroxypropan-2-yl]urea
CID 79023669
1-(3,4-dimethylphenyl)-3-(1-hydroxypropan-2-yl)urea
CID 110890307
1-(3,5-dichlorophenyl)-3-(4-hydroxy-1-methylsulfanylbutan-2-yl)urea
CID 111452609
5-[(3-chloro-5-fluorophenyl)carbamoylamino]hexanoic acid
CID 107368743
1-[5-chloro-2-(dimethylamino)phenyl]-3-(1-hydroxypropan-2-yl)urea
CID 111435033
1-[(2R)-butan-2-yl]-3-(3-chlorophenyl)urea
CID 1376673
1-(3-acetylphenyl)-3-(1-hydroxypropan-2-yl)urea
CID 47032107
1-(2-chloro-4,6-dimethylphenyl)-3-[(2R)-1-hydroxypropan-2-yl]urea
CID 95155199
N-(3,5-dichlorophenyl)-2-methylpropanamide
CID 797394
1-(3-cyano-4-fluorophenyl)-3-(1-hydroxypropan-2-yl)urea
CID 110932007

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dichlorophenyl)-3-[(2S)-1-hydroxypropan-2-yl]urea?
The IUPAC name of 1-(3,5-dichlorophenyl)-3-[(2S)-1-hydroxypropan-2-yl]urea (CID 103910043) is 1-(3,5-dichlorophenyl)-3-[(2S)-1-hydroxypropan-2-yl]urea.
What is the SMILES notation for 1-(3,5-dichlorophenyl)-3-[(2S)-1-hydroxypropan-2-yl]urea?
The canonical SMILES for 1-(3,5-dichlorophenyl)-3-[(2S)-1-hydroxypropan-2-yl]urea is C[C@@H](CO)NC(=O)Nc1cc(Cl)cc(Cl)c1.
What is the InChIKey of 1-(3,5-dichlorophenyl)-3-[(2S)-1-hydroxypropan-2-yl]urea?
The InChIKey is JDLRYEQJAXLEEL-LURJTMIESA-N. The full InChI is InChI=1S/C10H12Cl2N2O2/c1-6(5-15)13-10(16)14-9-3-7(11)2-8(12)4-9/h2-4,6,15H,5H2,1H3,(H2,13,14,16)/t6-/m0/s1.
What are the key properties of 1-(3,5-dichlorophenyl)-3-[(2S)-1-hydroxypropan-2-yl]urea?
1-(3,5-dichlorophenyl)-3-[(2S)-1-hydroxypropan-2-yl]urea has a molecular weight of 263.12 g/mol, XLogP of 2.50, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dichlorophenyl)-3-[(2S)-1-hydroxypropan-2-yl]urea is sourced from PubChem (CID 103910043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).