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

C10H12Cl2N4O2 — CID 55102675

IUPAC1-[(3E)-3-amino-3-hydroxyiminopropyl]-3-(3,4-dichlorophenyl)urea
SMILESN/C(CCNC(=O)Nc1ccc(Cl)c(Cl)c1)=N/O
InChIInChI=1S/C10H12Cl2N4O2/c11-7-2-1-6(5-8(7)12)15-10(17)14-4-3-9(13)16-18/h1-2,5,18H,3-4H2,(H2,13,16)(H2,14,15,17)
InChIKeyATOCLRBURMHKDH-UHFFFAOYSA-N
MW291.14 g/mol
LogP2.25
Rot. Bonds4

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

1-[(3E)-3-amino-3-hydroxyiminopropyl]-3-(3,4-dichlorophenyl)urea (PubChem CID 55102675) has the molecular formula C10H12Cl2N4O2 and a molecular weight of 291.14 g/mol. Its IUPAC name is 1-[(3E)-3-amino-3-hydroxyiminopropyl]-3-(3,4-dichlorophenyl)urea.

Molecular Properties

Compound Name1-[(3E)-3-amino-3-hydroxyiminopropyl]-3-(3,4-dichlorophenyl)urea
PubChem CID55102675
Molecular FormulaC10H12Cl2N4O2
Molecular Weight291.14 g/mol
Exact Mass290.03
IUPAC Name1-[(3E)-3-amino-3-hydroxyiminopropyl]-3-(3,4-dichlorophenyl)urea
SMILESN/C(CCNC(=O)Nc1ccc(Cl)c(Cl)c1)=N/O
InChIInChI=1S/C10H12Cl2N4O2/c11-7-2-1-6(5-8(7)12)15-10(17)14-4-3-9(13)16-18/h1-2,5,18H,3-4H2,(H2,13,16)(H2,14,15,17)
InChIKeyATOCLRBURMHKDH-UHFFFAOYSA-N
XLogP2.25
TPSA99.74 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.14
LogP ≤ 52.25
H-Bond Donors ≤ 54
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'}

Analyze 1-[(3E)-3-amino-3-hydroxyiminopropyl]-3-(3,4-dichlorophenyl)urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3,4-dichlorophenyl)-3-[4-[(3,4-dichlorophenyl)carbamoylamino]butyl]urea
CID 15270622
1-(3,4-dichlorophenyl)-3-[3-[(3,4-dichlorophenyl)carbamoylamino]propyl]urea
CID 4159166
methyl 3-[(3,4-dichlorophenyl)carbamoylamino]propanoate
CID 3810392
1-(3-amino-3-hydroxyiminopropyl)-3-[4-(trifluoromethyl)phenyl]urea
CID 76953073
5-[(3,4-dichlorophenyl)carbamoylamino]pentanoic acid
CID 4083960
1-(2-amino-2-sulfanylideneethyl)-3-(3,4-dichlorophenyl)urea
CID 61127485
1-[(4E)-4-amino-4-hydroxyiminobutyl]-3-(3,5-dichlorophenyl)urea
CID 107654487
1-(3-amino-3-hydroxyiminopropyl)-1-cyclopropyl-3-(3,4-dichlorophenyl)urea
CID 76911712
5-(3,4-dichloroanilino)-N'-hydroxypentanimidamide
CID 77026091
(2E)-2-amino-N-(3,4-dichlorophenyl)-2-hydroxyiminoacetamide
CID 53274929
1-(3,4-dichlorophenyl)-3-(3,3-diphenylpropyl)urea
CID 3334285
1-(4-amino-4-hydroxyiminobutyl)-3-(4-methylphenyl)urea
CID 76953357

Frequently Asked Questions

What is the IUPAC name of 1-[(3E)-3-amino-3-hydroxyiminopropyl]-3-(3,4-dichlorophenyl)urea?
The IUPAC name of 1-[(3E)-3-amino-3-hydroxyiminopropyl]-3-(3,4-dichlorophenyl)urea (CID 55102675) is 1-[(3E)-3-amino-3-hydroxyiminopropyl]-3-(3,4-dichlorophenyl)urea.
What is the SMILES notation for 1-[(3E)-3-amino-3-hydroxyiminopropyl]-3-(3,4-dichlorophenyl)urea?
The canonical SMILES for 1-[(3E)-3-amino-3-hydroxyiminopropyl]-3-(3,4-dichlorophenyl)urea is N/C(CCNC(=O)Nc1ccc(Cl)c(Cl)c1)=N/O.
What is the InChIKey of 1-[(3E)-3-amino-3-hydroxyiminopropyl]-3-(3,4-dichlorophenyl)urea?
The InChIKey is ATOCLRBURMHKDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12Cl2N4O2/c11-7-2-1-6(5-8(7)12)15-10(17)14-4-3-9(13)16-18/h1-2,5,18H,3-4H2,(H2,13,16)(H2,14,15,17).
What are the key properties of 1-[(3E)-3-amino-3-hydroxyiminopropyl]-3-(3,4-dichlorophenyl)urea?
1-[(3E)-3-amino-3-hydroxyiminopropyl]-3-(3,4-dichlorophenyl)urea has a molecular weight of 291.14 g/mol, XLogP of 2.25, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3E)-3-amino-3-hydroxyiminopropyl]-3-(3,4-dichlorophenyl)urea is sourced from PubChem (CID 55102675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).