1-(4-aminooxy-3-chlorophenyl)-3-(3,5-dichlorophenyl)urea

C13H10Cl3N3O2 — CID 90211641

IUPAC1-(4-aminooxy-3-chlorophenyl)-3-(3,5-dichlorophenyl)urea
SMILESNOc1ccc(NC(=O)Nc2cc(Cl)cc(Cl)c2)cc1Cl
InChIInChI=1S/C13H10Cl3N3O2/c14-7-3-8(15)5-10(4-7)19-13(20)18-9-1-2-12(21-17)11(16)6-9/h1-6H,17H2,(H2,18,19,20)
InChIKeyBHRVWLDFXQQUIK-UHFFFAOYSA-N
MW346.60 g/mol
LogP4.54
Rot. Bonds3

About 1-(4-aminooxy-3-chlorophenyl)-3-(3,5-dichlorophenyl)urea

1-(4-aminooxy-3-chlorophenyl)-3-(3,5-dichlorophenyl)urea (PubChem CID 90211641) has the molecular formula C13H10Cl3N3O2 and a molecular weight of 346.60 g/mol. Its IUPAC name is 1-(4-aminooxy-3-chlorophenyl)-3-(3,5-dichlorophenyl)urea.

Molecular Properties

Compound Name1-(4-aminooxy-3-chlorophenyl)-3-(3,5-dichlorophenyl)urea
PubChem CID90211641
Molecular FormulaC13H10Cl3N3O2
Molecular Weight346.60 g/mol
Exact Mass344.98
IUPAC Name1-(4-aminooxy-3-chlorophenyl)-3-(3,5-dichlorophenyl)urea
SMILESNOc1ccc(NC(=O)Nc2cc(Cl)cc(Cl)c2)cc1Cl
InChIInChI=1S/C13H10Cl3N3O2/c14-7-3-8(15)5-10(4-7)19-13(20)18-9-1-2-12(21-17)11(16)6-9/h1-6H,17H2,(H2,18,19,20)
InChIKeyBHRVWLDFXQQUIK-UHFFFAOYSA-N
XLogP4.54
TPSA76.38 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.60
LogP ≤ 54.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[3-chloro-4-(difluoromethoxy)phenyl]-3-(3-chlorophenyl)urea
CID 8002775
1-(3-amino-4-methylphenyl)-3-(3,5-dichlorophenyl)urea
CID 107652923
1-(3-amino-4-ethylphenyl)-3-(3,5-dichlorophenyl)urea
CID 107652978
1-[3-chloro-4-(difluoromethoxy)phenyl]-3-(3,4-dimethoxyphenyl)urea
CID 1297847
1-(6-amino-3-pyridinyl)-3-(3,5-dichlorophenyl)urea
CID 107654059
1-(4-acetylphenyl)-3-(3-chloro-4-methoxyphenyl)urea
CID 17265364
1-(3,5-dichlorophenyl)-3-(2-oxo-1,3-dihydrobenzimidazol-5-yl)urea
CID 48743188
1-(2,1,3-benzoxadiazol-5-yl)-3-(3,5-dichlorophenyl)urea
CID 167797088
1-[3-(aminomethyl)phenyl]-3-(3,5-dichlorophenyl)urea
CID 107654075
1-(3,5-dibromophenyl)-3-(3,5-dichlorophenyl)urea
CID 175721758
1-(3-bromo-5-chlorophenyl)-3-(3,5-dichlorophenyl)urea
CID 172725439
1-(4-amino-3-chlorophenyl)-3-(3,4,5-trimethoxyphenyl)urea
CID 108866651

Frequently Asked Questions

What is the IUPAC name of 1-(4-aminooxy-3-chlorophenyl)-3-(3,5-dichlorophenyl)urea?
The IUPAC name of 1-(4-aminooxy-3-chlorophenyl)-3-(3,5-dichlorophenyl)urea (CID 90211641) is 1-(4-aminooxy-3-chlorophenyl)-3-(3,5-dichlorophenyl)urea.
What is the SMILES notation for 1-(4-aminooxy-3-chlorophenyl)-3-(3,5-dichlorophenyl)urea?
The canonical SMILES for 1-(4-aminooxy-3-chlorophenyl)-3-(3,5-dichlorophenyl)urea is NOc1ccc(NC(=O)Nc2cc(Cl)cc(Cl)c2)cc1Cl.
What is the InChIKey of 1-(4-aminooxy-3-chlorophenyl)-3-(3,5-dichlorophenyl)urea?
The InChIKey is BHRVWLDFXQQUIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Cl3N3O2/c14-7-3-8(15)5-10(4-7)19-13(20)18-9-1-2-12(21-17)11(16)6-9/h1-6H,17H2,(H2,18,19,20).
What are the key properties of 1-(4-aminooxy-3-chlorophenyl)-3-(3,5-dichlorophenyl)urea?
1-(4-aminooxy-3-chlorophenyl)-3-(3,5-dichlorophenyl)urea has a molecular weight of 346.60 g/mol, XLogP of 4.54, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminooxy-3-chlorophenyl)-3-(3,5-dichlorophenyl)urea is sourced from PubChem (CID 90211641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).