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

C10H12Cl2N2O2 — CID 79023669

IUPAC1-(2,5-dichlorophenyl)-3-[(2S)-1-hydroxypropan-2-yl]urea
SMILESC[C@@H](CO)NC(=O)Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C10H12Cl2N2O2/c1-6(5-15)13-10(16)14-9-4-7(11)2-3-8(9)12/h2-4,6,15H,5H2,1H3,(H2,13,14,16)/t6-/m0/s1
InChIKeyWZULJWZXZDLFMF-LURJTMIESA-N
MW263.12 g/mol
LogP2.50
Rot. Bonds3

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

1-(2,5-dichlorophenyl)-3-[(2S)-1-hydroxypropan-2-yl]urea (PubChem CID 79023669) has the molecular formula C10H12Cl2N2O2 and a molecular weight of 263.12 g/mol. Its IUPAC name is 1-(2,5-dichlorophenyl)-3-[(2S)-1-hydroxypropan-2-yl]urea.

Molecular Properties

Compound Name1-(2,5-dichlorophenyl)-3-[(2S)-1-hydroxypropan-2-yl]urea
PubChem CID79023669
Molecular FormulaC10H12Cl2N2O2
Molecular Weight263.12 g/mol
Exact Mass262.03
IUPAC Name1-(2,5-dichlorophenyl)-3-[(2S)-1-hydroxypropan-2-yl]urea
SMILESC[C@@H](CO)NC(=O)Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C10H12Cl2N2O2/c1-6(5-15)13-10(16)14-9-4-7(11)2-3-8(9)12/h2-4,6,15H,5H2,1H3,(H2,13,14,16)/t6-/m0/s1
InChIKeyWZULJWZXZDLFMF-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-(2,5-dichlorophenyl)-3-(1,3-dihydroxypropan-2-yl)urea
CID 65313053
1-[5-chloro-2-(dimethylamino)phenyl]-3-(1-hydroxypropan-2-yl)urea
CID 111435033
ethyl (3R)-3-[(2,5-dichlorophenyl)carbamoylamino]butanoate
CID 96542158
1-(2,5-dichlorophenyl)-3-(3-oxobutan-2-yl)urea
CID 64994195
1-(5-chloro-2-propoxyphenyl)-3-(1-hydroxypropan-2-yl)urea
CID 110896841
1-(3,5-dichlorophenyl)-3-[(2S)-1-hydroxypropan-2-yl]urea
CID 103910043
1-(3,4-dichlorophenyl)-3-(1-hydroxypropan-2-yl)urea
CID 43417317
1-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-3-(1-hydroxypropan-2-yl)urea
CID 110891123
1-(1-aminobutan-2-yl)-3-(2,5-dichlorophenyl)urea
CID 65193306
1-(3,5-dichloro-4-methylphenyl)-3-(1-hydroxypropan-2-yl)urea
CID 110908088
2-chloro-N-[(2,5-dichlorophenyl)carbamoyl]propanamide
CID 43145990
1-(2,5-dichlorophenyl)-3-(3-methyl-2-oxobutyl)urea
CID 64993936

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dichlorophenyl)-3-[(2S)-1-hydroxypropan-2-yl]urea?
The IUPAC name of 1-(2,5-dichlorophenyl)-3-[(2S)-1-hydroxypropan-2-yl]urea (CID 79023669) is 1-(2,5-dichlorophenyl)-3-[(2S)-1-hydroxypropan-2-yl]urea.
What is the SMILES notation for 1-(2,5-dichlorophenyl)-3-[(2S)-1-hydroxypropan-2-yl]urea?
The canonical SMILES for 1-(2,5-dichlorophenyl)-3-[(2S)-1-hydroxypropan-2-yl]urea is C[C@@H](CO)NC(=O)Nc1cc(Cl)ccc1Cl.
What is the InChIKey of 1-(2,5-dichlorophenyl)-3-[(2S)-1-hydroxypropan-2-yl]urea?
The InChIKey is WZULJWZXZDLFMF-LURJTMIESA-N. The full InChI is InChI=1S/C10H12Cl2N2O2/c1-6(5-15)13-10(16)14-9-4-7(11)2-3-8(9)12/h2-4,6,15H,5H2,1H3,(H2,13,14,16)/t6-/m0/s1.
What are the key properties of 1-(2,5-dichlorophenyl)-3-[(2S)-1-hydroxypropan-2-yl]urea?
1-(2,5-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-(2,5-dichlorophenyl)-3-[(2S)-1-hydroxypropan-2-yl]urea is sourced from PubChem (CID 79023669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).