1-(2,5-dichlorophenyl)-3-(3-formylphenyl)urea

C14H10Cl2N2O2 — CID 106912821

IUPAC1-(2,5-dichlorophenyl)-3-(3-formylphenyl)urea
SMILESO=Cc1cccc(NC(=O)Nc2cc(Cl)ccc2Cl)c1
InChIInChI=1S/C14H10Cl2N2O2/c15-10-4-5-12(16)13(7-10)18-14(20)17-11-3-1-2-9(6-11)8-19/h1-8H,(H2,17,18,20)
InChIKeyVDVGXICMYYUNOD-UHFFFAOYSA-N
MW309.15 g/mol
LogP4.45
Rot. Bonds3

About 1-(2,5-dichlorophenyl)-3-(3-formylphenyl)urea

1-(2,5-dichlorophenyl)-3-(3-formylphenyl)urea (PubChem CID 106912821) has the molecular formula C14H10Cl2N2O2 and a molecular weight of 309.15 g/mol. Its IUPAC name is 1-(2,5-dichlorophenyl)-3-(3-formylphenyl)urea.

Molecular Properties

Compound Name1-(2,5-dichlorophenyl)-3-(3-formylphenyl)urea
PubChem CID106912821
Molecular FormulaC14H10Cl2N2O2
Molecular Weight309.15 g/mol
Exact Mass308.01
IUPAC Name1-(2,5-dichlorophenyl)-3-(3-formylphenyl)urea
SMILESO=Cc1cccc(NC(=O)Nc2cc(Cl)ccc2Cl)c1
InChIInChI=1S/C14H10Cl2N2O2/c15-10-4-5-12(16)13(7-10)18-14(20)17-11-3-1-2-9(6-11)8-19/h1-8H,(H2,17,18,20)
InChIKeyVDVGXICMYYUNOD-UHFFFAOYSA-N
XLogP4.45
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.15
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(4-amino-3-chlorophenyl)-3-(2,5-dichlorophenyl)urea
CID 82861443
1-(2,5-dichlorophenyl)-3-[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]urea
CID 66919885
3-chloro-4-fluoro-N-(3-formylphenyl)benzamide
CID 106912747
1-(2,5-dichlorophenyl)-3-[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]urea;hydrochloride
CID 66919884
1-(3-chloro-2-methylphenyl)-3-(2,5-dichlorophenyl)urea
CID 108886097
N-(3-acetamidophenyl)-N'-(2,5-dichlorophenyl)oxamide
CID 108501018
1-(2,5-dichlorophenyl)-3-[4-(dimethylamino)phenyl]urea
CID 108886172
1-(4-cyanophenyl)-3-(3-formylphenyl)urea
CID 106912803
1-[5-chloro-2-(hydroxymethyl)phenyl]-3-(3-chlorophenyl)urea
CID 156854371
1-(3-formylphenyl)-3-[4-(trifluoromethyl)phenyl]urea
CID 87362484
2,4-dichloro-5-[(3-chlorophenyl)carbamoylamino]benzoic acid
CID 91682684
1-[2-chloro-5-(trifluoromethyl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 4173499

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dichlorophenyl)-3-(3-formylphenyl)urea?
The IUPAC name of 1-(2,5-dichlorophenyl)-3-(3-formylphenyl)urea (CID 106912821) is 1-(2,5-dichlorophenyl)-3-(3-formylphenyl)urea.
What is the SMILES notation for 1-(2,5-dichlorophenyl)-3-(3-formylphenyl)urea?
The canonical SMILES for 1-(2,5-dichlorophenyl)-3-(3-formylphenyl)urea is O=Cc1cccc(NC(=O)Nc2cc(Cl)ccc2Cl)c1.
What is the InChIKey of 1-(2,5-dichlorophenyl)-3-(3-formylphenyl)urea?
The InChIKey is VDVGXICMYYUNOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl2N2O2/c15-10-4-5-12(16)13(7-10)18-14(20)17-11-3-1-2-9(6-11)8-19/h1-8H,(H2,17,18,20).
What are the key properties of 1-(2,5-dichlorophenyl)-3-(3-formylphenyl)urea?
1-(2,5-dichlorophenyl)-3-(3-formylphenyl)urea has a molecular weight of 309.15 g/mol, XLogP of 4.45, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dichlorophenyl)-3-(3-formylphenyl)urea is sourced from PubChem (CID 106912821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).