1-(2-amino-2-hydroxyiminoethyl)-3-(3,4-dichlorophenyl)-1-ethylurea

C11H14Cl2N4O2 — CID 76929020

IUPAC1-(2-amino-2-hydroxyiminoethyl)-3-(3,4-dichlorophenyl)-1-ethylurea
SMILESCCN(CC(N)=NO)C(=O)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C11H14Cl2N4O2/c1-2-17(6-10(14)16-19)11(18)15-7-3-4-8(12)9(13)5-7/h3-5,19H,2,6H2,1H3,(H2,14,16)(H,15,18)
InChIKeyQVJJFHZHZFJWLO-UHFFFAOYSA-N
MW305.17 g/mol
LogP2.59
Rot. Bonds4

About 1-(2-amino-2-hydroxyiminoethyl)-3-(3,4-dichlorophenyl)-1-ethylurea

1-(2-amino-2-hydroxyiminoethyl)-3-(3,4-dichlorophenyl)-1-ethylurea (PubChem CID 76929020) has the molecular formula C11H14Cl2N4O2 and a molecular weight of 305.17 g/mol. Its IUPAC name is 1-(2-amino-2-hydroxyiminoethyl)-3-(3,4-dichlorophenyl)-1-ethylurea.

Molecular Properties

Compound Name1-(2-amino-2-hydroxyiminoethyl)-3-(3,4-dichlorophenyl)-1-ethylurea
PubChem CID76929020
Molecular FormulaC11H14Cl2N4O2
Molecular Weight305.17 g/mol
Exact Mass304.05
IUPAC Name1-(2-amino-2-hydroxyiminoethyl)-3-(3,4-dichlorophenyl)-1-ethylurea
SMILESCCN(CC(N)=NO)C(=O)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C11H14Cl2N4O2/c1-2-17(6-10(14)16-19)11(18)15-7-3-4-8(12)9(13)5-7/h3-5,19H,2,6H2,1H3,(H2,14,16)(H,15,18)
InChIKeyQVJJFHZHZFJWLO-UHFFFAOYSA-N
XLogP2.59
TPSA90.95 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.17
LogP ≤ 52.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(3-amino-3-hydroxyiminopropyl)-1-cyclopropyl-3-(3,4-dichlorophenyl)urea
CID 76911712
3-(3,4-dichlorophenyl)-1,1-dimethylurea;1,1-dimethylurea
CID 175137173
ethyl 2-[(3,4-dichlorophenyl)carbamoyl-propylamino]acetate
CID 61008817
1-tert-butyl-3-(3,4-dichlorophenyl)-1-ethylurea
CID 108866426
1-[(3E)-3-amino-3-hydroxyiminopropyl]-3-(3,4-dichlorophenyl)urea
CID 55102675
(2E)-2-amino-N-(3,4-dichlorophenyl)-2-hydroxyiminoacetamide
CID 53274929
2-chloro-4-(diethylcarbamoylamino)-N-methylbenzamide
CID 47325825
3-(3,4-dichlorophenyl)-1-(2-hydroxypropyl)-1-propylurea
CID 20788075
N-[(2Z)-2-amino-2-hydroxyiminoethyl]-3-chloro-N-ethyl-2-methylbenzamide
CID 107099465
N-[(3Z)-3-amino-3-hydroxyiminopropyl]-3,4-dichloro-N-ethylbenzamide
CID 54992752
2-(3,4-dichloroanilino)-N,N-diethylpropanamide
CID 23317113
3-(3,4-dichlorophenyl)-1-methyl-1-(methylamino)urea
CID 12537925

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-2-hydroxyiminoethyl)-3-(3,4-dichlorophenyl)-1-ethylurea?
The IUPAC name of 1-(2-amino-2-hydroxyiminoethyl)-3-(3,4-dichlorophenyl)-1-ethylurea (CID 76929020) is 1-(2-amino-2-hydroxyiminoethyl)-3-(3,4-dichlorophenyl)-1-ethylurea.
What is the SMILES notation for 1-(2-amino-2-hydroxyiminoethyl)-3-(3,4-dichlorophenyl)-1-ethylurea?
The canonical SMILES for 1-(2-amino-2-hydroxyiminoethyl)-3-(3,4-dichlorophenyl)-1-ethylurea is CCN(CC(N)=NO)C(=O)Nc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 1-(2-amino-2-hydroxyiminoethyl)-3-(3,4-dichlorophenyl)-1-ethylurea?
The InChIKey is QVJJFHZHZFJWLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14Cl2N4O2/c1-2-17(6-10(14)16-19)11(18)15-7-3-4-8(12)9(13)5-7/h3-5,19H,2,6H2,1H3,(H2,14,16)(H,15,18).
What are the key properties of 1-(2-amino-2-hydroxyiminoethyl)-3-(3,4-dichlorophenyl)-1-ethylurea?
1-(2-amino-2-hydroxyiminoethyl)-3-(3,4-dichlorophenyl)-1-ethylurea has a molecular weight of 305.17 g/mol, XLogP of 2.59, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-2-hydroxyiminoethyl)-3-(3,4-dichlorophenyl)-1-ethylurea is sourced from PubChem (CID 76929020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).