1-(2,4-dichlorophenyl)-3-[4-(3-oxoprop-2-enoyl)phenyl]urea

C16H10Cl2N2O3 — CID 91358186

IUPAC1-(2,4-dichlorophenyl)-3-[4-(3-oxoprop-2-enoyl)phenyl]urea
SMILESO=C=CC(=O)c1ccc(NC(=O)Nc2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C16H10Cl2N2O3/c17-11-3-6-14(13(18)9-11)20-16(23)19-12-4-1-10(2-5-12)15(22)7-8-21/h1-7,9H,(H2,19,20,23)
InChIKeyQHNDMUPUMLCZSA-UHFFFAOYSA-N
MW349.17 g/mol
LogP4.21
Rot. Bonds4

About 1-(2,4-dichlorophenyl)-3-[4-(3-oxoprop-2-enoyl)phenyl]urea

1-(2,4-dichlorophenyl)-3-[4-(3-oxoprop-2-enoyl)phenyl]urea (PubChem CID 91358186) has the molecular formula C16H10Cl2N2O3 and a molecular weight of 349.17 g/mol. Its IUPAC name is 1-(2,4-dichlorophenyl)-3-[4-(3-oxoprop-2-enoyl)phenyl]urea.

Molecular Properties

Compound Name1-(2,4-dichlorophenyl)-3-[4-(3-oxoprop-2-enoyl)phenyl]urea
PubChem CID91358186
Molecular FormulaC16H10Cl2N2O3
Molecular Weight349.17 g/mol
Exact Mass348.01
IUPAC Name1-(2,4-dichlorophenyl)-3-[4-(3-oxoprop-2-enoyl)phenyl]urea
SMILESO=C=CC(=O)c1ccc(NC(=O)Nc2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C16H10Cl2N2O3/c17-11-3-6-14(13(18)9-11)20-16(23)19-12-4-1-10(2-5-12)15(22)7-8-21/h1-7,9H,(H2,19,20,23)
InChIKeyQHNDMUPUMLCZSA-UHFFFAOYSA-N
XLogP4.21
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.17
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ketene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

1-(4-acetylphenyl)-3-(2,4-dichlorophenyl)urea
CID 17283819
1-(2,4-dichlorophenyl)-3-(3,5-dimethylphenyl)urea
CID 27036650
1-(2-chloro-4-cyanophenyl)-3-(4-chlorophenyl)urea
CID 107808212
1-(2,4-dichlorophenyl)-3-hydroxyurea
CID 4295489
1-(3-cyanophenyl)-3-(2,4-dichlorophenyl)urea
CID 4251822
1-(1,2,3-benzothiadiazol-5-yl)-3-(2,4-dichlorophenyl)urea
CID 3784740
1-(2-chloro-4-methylphenyl)-3-(4-methylphenyl)urea
CID 46860275
1-(2,4-dichlorophenyl)-3-ethenylurea
CID 108909057
N-(4-chlorophenyl)-N'-(2,4-dichlorophenyl)propanediamide
CID 108955063
1-(2-chloro-4-cyanophenyl)-3-(4-cyanophenyl)urea
CID 107808221
methyl 4-chloro-3-[(2,4-dichlorophenyl)carbamoylamino]benzoate
CID 108992420
1-(2,4-dichlorophenyl)-3-pyridin-3-ylurea
CID 3994543

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dichlorophenyl)-3-[4-(3-oxoprop-2-enoyl)phenyl]urea?
The IUPAC name of 1-(2,4-dichlorophenyl)-3-[4-(3-oxoprop-2-enoyl)phenyl]urea (CID 91358186) is 1-(2,4-dichlorophenyl)-3-[4-(3-oxoprop-2-enoyl)phenyl]urea.
What is the SMILES notation for 1-(2,4-dichlorophenyl)-3-[4-(3-oxoprop-2-enoyl)phenyl]urea?
The canonical SMILES for 1-(2,4-dichlorophenyl)-3-[4-(3-oxoprop-2-enoyl)phenyl]urea is O=C=CC(=O)c1ccc(NC(=O)Nc2ccc(Cl)cc2Cl)cc1.
What is the InChIKey of 1-(2,4-dichlorophenyl)-3-[4-(3-oxoprop-2-enoyl)phenyl]urea?
The InChIKey is QHNDMUPUMLCZSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10Cl2N2O3/c17-11-3-6-14(13(18)9-11)20-16(23)19-12-4-1-10(2-5-12)15(22)7-8-21/h1-7,9H,(H2,19,20,23).
What are the key properties of 1-(2,4-dichlorophenyl)-3-[4-(3-oxoprop-2-enoyl)phenyl]urea?
1-(2,4-dichlorophenyl)-3-[4-(3-oxoprop-2-enoyl)phenyl]urea has a molecular weight of 349.17 g/mol, XLogP of 4.21, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dichlorophenyl)-3-[4-(3-oxoprop-2-enoyl)phenyl]urea is sourced from PubChem (CID 91358186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).