1-[5-chloro-2-(dimethylamino)phenyl]-3-[(2R)-1-methoxypropan-2-yl]urea

C13H20ClN3O2 — CID 95773531

IUPAC1-[5-chloro-2-(dimethylamino)phenyl]-3-[(2R)-1-methoxypropan-2-yl]urea
SMILESCOC[C@@H](C)NC(=O)Nc1cc(Cl)ccc1N(C)C
InChIInChI=1S/C13H20ClN3O2/c1-9(8-19-4)15-13(18)16-11-7-10(14)5-6-12(11)17(2)3/h5-7,9H,8H2,1-4H3,(H2,15,16,18)/t9-/m1/s1
InChIKeyVGADMPMBYWFGOD-SECBINFHSA-N
MW285.78 g/mol
LogP2.56
Rot. Bonds5

About 1-[5-chloro-2-(dimethylamino)phenyl]-3-[(2R)-1-methoxypropan-2-yl]urea

1-[5-chloro-2-(dimethylamino)phenyl]-3-[(2R)-1-methoxypropan-2-yl]urea (PubChem CID 95773531) has the molecular formula C13H20ClN3O2 and a molecular weight of 285.78 g/mol. Its IUPAC name is 1-[5-chloro-2-(dimethylamino)phenyl]-3-[(2R)-1-methoxypropan-2-yl]urea.

Molecular Properties

Compound Name1-[5-chloro-2-(dimethylamino)phenyl]-3-[(2R)-1-methoxypropan-2-yl]urea
PubChem CID95773531
Molecular FormulaC13H20ClN3O2
Molecular Weight285.78 g/mol
Exact Mass285.12
IUPAC Name1-[5-chloro-2-(dimethylamino)phenyl]-3-[(2R)-1-methoxypropan-2-yl]urea
SMILESCOC[C@@H](C)NC(=O)Nc1cc(Cl)ccc1N(C)C
InChIInChI=1S/C13H20ClN3O2/c1-9(8-19-4)15-13(18)16-11-7-10(14)5-6-12(11)17(2)3/h5-7,9H,8H2,1-4H3,(H2,15,16,18)/t9-/m1/s1
InChIKeyVGADMPMBYWFGOD-SECBINFHSA-N
XLogP2.56
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.78
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[5-chloro-2-(dimethylamino)phenyl]-3-(1-hydroxypropan-2-yl)urea
CID 111435033
(2S)-2-[[5-chloro-2-(dimethylamino)phenyl]carbamoylamino]-N,N-dimethylpropanamide
CID 99835829
2-chloro-N-[5-chloro-2-(dimethylamino)phenyl]propanamide
CID 43700084
1-(3-chlorophenyl)-3-(1-methoxypropan-2-yl)urea
CID 24528797
3-amino-N-[5-chloro-2-(dimethylamino)phenyl]-2-methylpropanamide
CID 55104508
1-[5-chloro-2-(dimethylamino)phenyl]-3-[(2R)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]urea
CID 99714466
1-(2-chloro-4-methylphenyl)-3-(1-methoxypropan-2-yl)urea
CID 51074651
N-[5-chloro-2-(dimethylamino)phenyl]-2-propan-2-yloxyacetamide
CID 112687413
1-[5-chloro-2-(dimethylamino)phenyl]-3-(2-hydroxy-2,3-dimethylbutyl)urea
CID 111435035
N-[5-chloro-2-(dimethylamino)phenyl]-4-hydroxypentanamide
CID 79204123
2-chloro-N-[5-chloro-2-(dimethylamino)phenyl]acetamide
CID 3710309
1-(2,5-dichlorophenyl)-3-[(2S)-1-hydroxypropan-2-yl]urea
CID 79023669

Frequently Asked Questions

What is the IUPAC name of 1-[5-chloro-2-(dimethylamino)phenyl]-3-[(2R)-1-methoxypropan-2-yl]urea?
The IUPAC name of 1-[5-chloro-2-(dimethylamino)phenyl]-3-[(2R)-1-methoxypropan-2-yl]urea (CID 95773531) is 1-[5-chloro-2-(dimethylamino)phenyl]-3-[(2R)-1-methoxypropan-2-yl]urea.
What is the SMILES notation for 1-[5-chloro-2-(dimethylamino)phenyl]-3-[(2R)-1-methoxypropan-2-yl]urea?
The canonical SMILES for 1-[5-chloro-2-(dimethylamino)phenyl]-3-[(2R)-1-methoxypropan-2-yl]urea is COC[C@@H](C)NC(=O)Nc1cc(Cl)ccc1N(C)C.
What is the InChIKey of 1-[5-chloro-2-(dimethylamino)phenyl]-3-[(2R)-1-methoxypropan-2-yl]urea?
The InChIKey is VGADMPMBYWFGOD-SECBINFHSA-N. The full InChI is InChI=1S/C13H20ClN3O2/c1-9(8-19-4)15-13(18)16-11-7-10(14)5-6-12(11)17(2)3/h5-7,9H,8H2,1-4H3,(H2,15,16,18)/t9-/m1/s1.
What are the key properties of 1-[5-chloro-2-(dimethylamino)phenyl]-3-[(2R)-1-methoxypropan-2-yl]urea?
1-[5-chloro-2-(dimethylamino)phenyl]-3-[(2R)-1-methoxypropan-2-yl]urea has a molecular weight of 285.78 g/mol, XLogP of 2.56, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-chloro-2-(dimethylamino)phenyl]-3-[(2R)-1-methoxypropan-2-yl]urea is sourced from PubChem (CID 95773531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).