1-(5-chloro-2-methylphenyl)-3-ethyl-1-hydroxyurea

C10H13ClN2O2 — CID 88560810

IUPAC1-(5-chloro-2-methylphenyl)-3-ethyl-1-hydroxyurea
SMILESCCNC(=O)N(O)c1cc(Cl)ccc1C
InChIInChI=1S/C10H13ClN2O2/c1-3-12-10(14)13(15)9-6-8(11)5-4-7(9)2/h4-6,15H,3H2,1-2H3,(H,12,14)
InChIKeyRRGLAZILMIDGAC-UHFFFAOYSA-N
MW228.68 g/mol
LogP2.57
Rot. Bonds2

About 1-(5-chloro-2-methylphenyl)-3-ethyl-1-hydroxyurea

1-(5-chloro-2-methylphenyl)-3-ethyl-1-hydroxyurea (PubChem CID 88560810) has the molecular formula C10H13ClN2O2 and a molecular weight of 228.68 g/mol. Its IUPAC name is 1-(5-chloro-2-methylphenyl)-3-ethyl-1-hydroxyurea.

Molecular Properties

Compound Name1-(5-chloro-2-methylphenyl)-3-ethyl-1-hydroxyurea
PubChem CID88560810
Molecular FormulaC10H13ClN2O2
Molecular Weight228.68 g/mol
Exact Mass228.07
IUPAC Name1-(5-chloro-2-methylphenyl)-3-ethyl-1-hydroxyurea
SMILESCCNC(=O)N(O)c1cc(Cl)ccc1C
InChIInChI=1S/C10H13ClN2O2/c1-3-12-10(14)13(15)9-6-8(11)5-4-7(9)2/h4-6,15H,3H2,1-2H3,(H,12,14)
InChIKeyRRGLAZILMIDGAC-UHFFFAOYSA-N
XLogP2.57
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.68
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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

2-[N-(2-aminoethyl)-5-chloro-2-methylanilino]acetic acid
CID 117013506
2-chloro-N-(5-chloro-2-methylphenyl)-N-methylacetamide
CID 82082325
2-(4-chloro-2-methylphenyl)-N-ethylacetamide
CID 142912369
N-[(5-chloro-2-methylphenyl)-methylcarbamoyl]formamide
CID 167269517
2-(N-acetyl-5-chloro-2-methylanilino)-N-[2-(dimethylamino)ethyl]acetamide
CID 113171843
N-[2-(N-acetyl-5-chloro-2-methylanilino)ethyl]-2-methylpropanamide
CID 113059796
2-(5-chloro-N-ethyl-2-methylanilino)propanoic acid
CID 133150346
N-[2-(N-acetyl-5-chloro-2-methylanilino)ethyl]-3-methylbutanamide
CID 113059799
2-(2,5-dichloro-N-methylsulfonylanilino)-N-ethylacetamide
CID 126033136
N-butan-2-yl-2-(5-chloro-2-methyl-N-methylsulfonylanilino)acetamide
CID 2889765
2-[2-(5-chloro-N-ethyl-2-methylanilino)ethyl-methylamino]acetamide
CID 71047434
2-[[2-(5-chloro-2-methyl-N-methylsulfonylanilino)acetyl]-[(4-methylphenyl)methyl]amino]-N-ethylpropanamide
CID 132944713

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-methylphenyl)-3-ethyl-1-hydroxyurea?
The IUPAC name of 1-(5-chloro-2-methylphenyl)-3-ethyl-1-hydroxyurea (CID 88560810) is 1-(5-chloro-2-methylphenyl)-3-ethyl-1-hydroxyurea.
What is the SMILES notation for 1-(5-chloro-2-methylphenyl)-3-ethyl-1-hydroxyurea?
The canonical SMILES for 1-(5-chloro-2-methylphenyl)-3-ethyl-1-hydroxyurea is CCNC(=O)N(O)c1cc(Cl)ccc1C.
What is the InChIKey of 1-(5-chloro-2-methylphenyl)-3-ethyl-1-hydroxyurea?
The InChIKey is RRGLAZILMIDGAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN2O2/c1-3-12-10(14)13(15)9-6-8(11)5-4-7(9)2/h4-6,15H,3H2,1-2H3,(H,12,14).
What are the key properties of 1-(5-chloro-2-methylphenyl)-3-ethyl-1-hydroxyurea?
1-(5-chloro-2-methylphenyl)-3-ethyl-1-hydroxyurea has a molecular weight of 228.68 g/mol, XLogP of 2.57, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-methylphenyl)-3-ethyl-1-hydroxyurea is sourced from PubChem (CID 88560810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).