3-(2-amino-5-chlorophenyl)-1-ethyl-1-methylurea

C10H14ClN3O — CID 79152051

IUPAC3-(2-amino-5-chlorophenyl)-1-ethyl-1-methylurea
SMILESCCN(C)C(=O)Nc1cc(Cl)ccc1N
InChIInChI=1S/C10H14ClN3O/c1-3-14(2)10(15)13-9-6-7(11)4-5-8(9)12/h4-6H,3,12H2,1-2H3,(H,13,15)
InChIKeyXNFKOGBTXCYBGU-UHFFFAOYSA-N
MW227.70 g/mol
LogP2.41
Rot. Bonds2

About 3-(2-amino-5-chlorophenyl)-1-ethyl-1-methylurea

3-(2-amino-5-chlorophenyl)-1-ethyl-1-methylurea (PubChem CID 79152051) has the molecular formula C10H14ClN3O and a molecular weight of 227.70 g/mol. Its IUPAC name is 3-(2-amino-5-chlorophenyl)-1-ethyl-1-methylurea.

Molecular Properties

Compound Name3-(2-amino-5-chlorophenyl)-1-ethyl-1-methylurea
PubChem CID79152051
Molecular FormulaC10H14ClN3O
Molecular Weight227.70 g/mol
Exact Mass227.08
IUPAC Name3-(2-amino-5-chlorophenyl)-1-ethyl-1-methylurea
SMILESCCN(C)C(=O)Nc1cc(Cl)ccc1N
InChIInChI=1S/C10H14ClN3O/c1-3-14(2)10(15)13-9-6-7(11)4-5-8(9)12/h4-6H,3,12H2,1-2H3,(H,13,15)
InChIKeyXNFKOGBTXCYBGU-UHFFFAOYSA-N
XLogP2.41
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.70
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-[4-chloro-2-(trifluoromethyl)phenyl]-1-ethyl-1-methylurea
CID 113229852
3-[2-amino-4-(trifluoromethyl)phenyl]-1-ethyl-1-methylurea
CID 79152321
2-[[2-(2-amino-5-chloroanilino)-2-oxoethyl]-ethylamino]acetamide
CID 103101401
N-(2-amino-5-chlorophenyl)-2-ethylsulfonylacetamide
CID 43444676
3-(6-amino-1,3-benzodioxol-5-yl)-1-ethyl-1-methylurea
CID 79160086
N-(2-amino-5-chlorophenyl)-3-[2-hydroxyethyl(methyl)amino]propanamide
CID 54879333
3-(4-amino-2-methylphenyl)-1-ethyl-1-methylurea
CID 79152927
N-(2-amino-5-chlorophenyl)-3,3-dimethylbutanamide
CID 16794866
N-(2-amino-5-chlorophenyl)-2-methylpentanamide
CID 43209694
N-(2-amino-5-chlorophenyl)-2-[ethyl(2-methylbutyl)amino]propanamide
CID 79481495
N-(2-amino-5-chlorophenyl)-2-[cyclopropyl(ethyl)amino]propanamide
CID 43263776
N-(2-amino-5-chlorophenyl)-2-ethylsulfinylpropanamide
CID 61303642

Frequently Asked Questions

What is the IUPAC name of 3-(2-amino-5-chlorophenyl)-1-ethyl-1-methylurea?
The IUPAC name of 3-(2-amino-5-chlorophenyl)-1-ethyl-1-methylurea (CID 79152051) is 3-(2-amino-5-chlorophenyl)-1-ethyl-1-methylurea.
What is the SMILES notation for 3-(2-amino-5-chlorophenyl)-1-ethyl-1-methylurea?
The canonical SMILES for 3-(2-amino-5-chlorophenyl)-1-ethyl-1-methylurea is CCN(C)C(=O)Nc1cc(Cl)ccc1N.
What is the InChIKey of 3-(2-amino-5-chlorophenyl)-1-ethyl-1-methylurea?
The InChIKey is XNFKOGBTXCYBGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN3O/c1-3-14(2)10(15)13-9-6-7(11)4-5-8(9)12/h4-6H,3,12H2,1-2H3,(H,13,15).
What are the key properties of 3-(2-amino-5-chlorophenyl)-1-ethyl-1-methylurea?
3-(2-amino-5-chlorophenyl)-1-ethyl-1-methylurea has a molecular weight of 227.70 g/mol, XLogP of 2.41, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-amino-5-chlorophenyl)-1-ethyl-1-methylurea is sourced from PubChem (CID 79152051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).