1-[(4E)-4-amino-4-hydroxyiminobutyl]-3-(3,5-dichlorophenyl)urea

C11H14Cl2N4O2 — CID 107654487

IUPAC1-[(4E)-4-amino-4-hydroxyiminobutyl]-3-(3,5-dichlorophenyl)urea
SMILESN/C(CCCNC(=O)Nc1cc(Cl)cc(Cl)c1)=N/O
InChIInChI=1S/C11H14Cl2N4O2/c12-7-4-8(13)6-9(5-7)16-11(18)15-3-1-2-10(14)17-19/h4-6,19H,1-3H2,(H2,14,17)(H2,15,16,18)
InChIKeyWFTDCLYQTFXUQT-UHFFFAOYSA-N
MW305.17 g/mol
LogP2.64
Rot. Bonds5

About 1-[(4E)-4-amino-4-hydroxyiminobutyl]-3-(3,5-dichlorophenyl)urea

1-[(4E)-4-amino-4-hydroxyiminobutyl]-3-(3,5-dichlorophenyl)urea (PubChem CID 107654487) has the molecular formula C11H14Cl2N4O2 and a molecular weight of 305.17 g/mol. Its IUPAC name is 1-[(4E)-4-amino-4-hydroxyiminobutyl]-3-(3,5-dichlorophenyl)urea.

Molecular Properties

Compound Name1-[(4E)-4-amino-4-hydroxyiminobutyl]-3-(3,5-dichlorophenyl)urea
PubChem CID107654487
Molecular FormulaC11H14Cl2N4O2
Molecular Weight305.17 g/mol
Exact Mass304.05
IUPAC Name1-[(4E)-4-amino-4-hydroxyiminobutyl]-3-(3,5-dichlorophenyl)urea
SMILESN/C(CCCNC(=O)Nc1cc(Cl)cc(Cl)c1)=N/O
InChIInChI=1S/C11H14Cl2N4O2/c12-7-4-8(13)6-9(5-7)16-11(18)15-3-1-2-10(14)17-19/h4-6,19H,1-3H2,(H2,14,17)(H2,15,16,18)
InChIKeyWFTDCLYQTFXUQT-UHFFFAOYSA-N
XLogP2.64
TPSA99.74 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.17
LogP ≤ 52.64
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

3-[(3,5-dichlorophenyl)carbamoylamino]propanamide
CID 56814254
1-[(4E)-4-amino-4-hydroxyiminobutyl]-3-(2-chlorophenyl)urea
CID 55102310
1-(4-amino-4-hydroxyiminobutyl)-3-(4-methylphenyl)urea
CID 76953357
1-(3,5-dichlorophenyl)-3-(4-hydroxybutyl)urea
CID 107143334
5-(3,5-dichloroanilino)-N'-hydroxypentanimidamide
CID 77025830
3-[(3,5-dichlorophenyl)carbamoylamino]propanoic acid
CID 28511134
1-[(3E)-3-amino-3-hydroxyiminopropyl]-3-(3,4-dichlorophenyl)urea
CID 55102675
1-(3,5-dichlorophenyl)-3-pent-4-ynylurea
CID 103709982
1-(4-amino-4-sulfanylidenebutyl)-3-(3-chlorophenyl)urea
CID 62668290
1-[2-(cyclopropylamino)ethyl]-3-(3,5-dichlorophenyl)urea
CID 107654056
1-(3-amino-3-hydroxyiminopropyl)-3-[4-(trifluoromethyl)phenyl]urea
CID 76953073
1-[(1Z)-1-amino-1-hydroxyiminobutan-2-yl]-3-(3,5-dichlorophenyl)urea
CID 107654451

Frequently Asked Questions

What is the IUPAC name of 1-[(4E)-4-amino-4-hydroxyiminobutyl]-3-(3,5-dichlorophenyl)urea?
The IUPAC name of 1-[(4E)-4-amino-4-hydroxyiminobutyl]-3-(3,5-dichlorophenyl)urea (CID 107654487) is 1-[(4E)-4-amino-4-hydroxyiminobutyl]-3-(3,5-dichlorophenyl)urea.
What is the SMILES notation for 1-[(4E)-4-amino-4-hydroxyiminobutyl]-3-(3,5-dichlorophenyl)urea?
The canonical SMILES for 1-[(4E)-4-amino-4-hydroxyiminobutyl]-3-(3,5-dichlorophenyl)urea is N/C(CCCNC(=O)Nc1cc(Cl)cc(Cl)c1)=N/O.
What is the InChIKey of 1-[(4E)-4-amino-4-hydroxyiminobutyl]-3-(3,5-dichlorophenyl)urea?
The InChIKey is WFTDCLYQTFXUQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14Cl2N4O2/c12-7-4-8(13)6-9(5-7)16-11(18)15-3-1-2-10(14)17-19/h4-6,19H,1-3H2,(H2,14,17)(H2,15,16,18).
What are the key properties of 1-[(4E)-4-amino-4-hydroxyiminobutyl]-3-(3,5-dichlorophenyl)urea?
1-[(4E)-4-amino-4-hydroxyiminobutyl]-3-(3,5-dichlorophenyl)urea has a molecular weight of 305.17 g/mol, XLogP of 2.64, 5 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4E)-4-amino-4-hydroxyiminobutyl]-3-(3,5-dichlorophenyl)urea is sourced from PubChem (CID 107654487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).