1-[5-chloro-2-[(2,4-dimethylphenoxy)methyl]phenyl]-1-hydroxy-3-methylurea

C17H19ClN2O3 — CID 129039381

IUPAC1-[5-chloro-2-[(2,4-dimethylphenoxy)methyl]phenyl]-1-hydroxy-3-methylurea
SMILESCNC(=O)N(O)c1cc(Cl)ccc1COc1ccc(C)cc1C
InChIInChI=1S/C17H19ClN2O3/c1-11-4-7-16(12(2)8-11)23-10-13-5-6-14(18)9-15(13)20(22)17(21)19-3/h4-9,22H,10H2,1-3H3,(H,19,21)
InChIKeyGAKPUIQMKWSXCA-UHFFFAOYSA-N
MW334.80 g/mol
LogP4.07
Rot. Bonds4

About 1-[5-chloro-2-[(2,4-dimethylphenoxy)methyl]phenyl]-1-hydroxy-3-methylurea

1-[5-chloro-2-[(2,4-dimethylphenoxy)methyl]phenyl]-1-hydroxy-3-methylurea (PubChem CID 129039381) has the molecular formula C17H19ClN2O3 and a molecular weight of 334.80 g/mol. Its IUPAC name is 1-[5-chloro-2-[(2,4-dimethylphenoxy)methyl]phenyl]-1-hydroxy-3-methylurea.

Molecular Properties

Compound Name1-[5-chloro-2-[(2,4-dimethylphenoxy)methyl]phenyl]-1-hydroxy-3-methylurea
PubChem CID129039381
Molecular FormulaC17H19ClN2O3
Molecular Weight334.80 g/mol
Exact Mass334.11
IUPAC Name1-[5-chloro-2-[(2,4-dimethylphenoxy)methyl]phenyl]-1-hydroxy-3-methylurea
SMILESCNC(=O)N(O)c1cc(Cl)ccc1COc1ccc(C)cc1C
InChIInChI=1S/C17H19ClN2O3/c1-11-4-7-16(12(2)8-11)23-10-13-5-6-14(18)9-15(13)20(22)17(21)19-3/h4-9,22H,10H2,1-3H3,(H,19,21)
InChIKeyGAKPUIQMKWSXCA-UHFFFAOYSA-N
XLogP4.07
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.80
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

O-methyl N-[2-[(2,4-dimethylphenoxy)methyl]-5-methylphenyl]-N-hydroxycarbamothioate
CID 129039560
N-[4-chloro-2-[(2,4-dimethylphenoxy)methyl]phenyl]propanamide
CID 129039598
1-[(4-chloro-2-nitrophenyl)methoxy]-2,4-dimethylbenzene
CID 64764424
O-methyl N-[2-[(2,4-dimethylphenoxy)methyl]phenyl]-N-hydroxycarbamothioate
CID 129038738
O-methyl N-[5-(difluoromethyl)-2-[(2,4-dimethylphenoxy)methyl]phenyl]-N-hydroxycarbamothioate
CID 129039648
O-methyl N-[2-[(4-ethyl-2-methylphenoxy)methyl]-5-methylphenyl]-N-hydroxycarbamothioate
CID 126515909
5-chloro-2-[(2,4-dimethylphenyl)methoxy]aniline
CID 82133164
N-[4-chloro-2-[(4-ethyl-2-methylphenoxy)methyl]phenyl]-N-hydroxypropanamide
CID 126589113
2-(2,4-dimethylphenoxy)-N-methylacetamide
CID 965410
1-[5-chloro-2-[(2-chloro-4-methylphenyl)methoxy]phenyl]ethanone
CID 106863598
methyl N-[2-[(2,4-dimethylphenoxy)methyl]-4-(trifluoromethyl)phenyl]-N-hydroxycarbamate
CID 129039628
1-[2-[(2,4-dimethylphenoxy)methyl]-3-ethoxyphenyl]-1,3-dimethylurea
CID 129038819

Frequently Asked Questions

What is the IUPAC name of 1-[5-chloro-2-[(2,4-dimethylphenoxy)methyl]phenyl]-1-hydroxy-3-methylurea?
The IUPAC name of 1-[5-chloro-2-[(2,4-dimethylphenoxy)methyl]phenyl]-1-hydroxy-3-methylurea (CID 129039381) is 1-[5-chloro-2-[(2,4-dimethylphenoxy)methyl]phenyl]-1-hydroxy-3-methylurea.
What is the SMILES notation for 1-[5-chloro-2-[(2,4-dimethylphenoxy)methyl]phenyl]-1-hydroxy-3-methylurea?
The canonical SMILES for 1-[5-chloro-2-[(2,4-dimethylphenoxy)methyl]phenyl]-1-hydroxy-3-methylurea is CNC(=O)N(O)c1cc(Cl)ccc1COc1ccc(C)cc1C.
What is the InChIKey of 1-[5-chloro-2-[(2,4-dimethylphenoxy)methyl]phenyl]-1-hydroxy-3-methylurea?
The InChIKey is GAKPUIQMKWSXCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O3/c1-11-4-7-16(12(2)8-11)23-10-13-5-6-14(18)9-15(13)20(22)17(21)19-3/h4-9,22H,10H2,1-3H3,(H,19,21).
What are the key properties of 1-[5-chloro-2-[(2,4-dimethylphenoxy)methyl]phenyl]-1-hydroxy-3-methylurea?
1-[5-chloro-2-[(2,4-dimethylphenoxy)methyl]phenyl]-1-hydroxy-3-methylurea has a molecular weight of 334.80 g/mol, XLogP of 4.07, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-chloro-2-[(2,4-dimethylphenoxy)methyl]phenyl]-1-hydroxy-3-methylurea is sourced from PubChem (CID 129039381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).