1-(2-benzoylphenyl)-3-(2,3-dichlorophenyl)thiourea

C20H14Cl2N2OS — CID 19648807

IUPAC1-(2-benzoylphenyl)-3-(2,3-dichlorophenyl)thiourea
SMILESO=C(c1ccccc1)c1ccccc1NC(=S)Nc1cccc(Cl)c1Cl
InChIInChI=1S/C20H14Cl2N2OS/c21-15-10-6-12-17(18(15)22)24-20(26)23-16-11-5-4-9-14(16)19(25)13-7-2-1-3-8-13/h1-12H,(H2,23,24,26)
InChIKeyKXOVUHKFLHCQOC-UHFFFAOYSA-N
MW401.32 g/mol
LogP6.03
Rot. Bonds4

About 1-(2-benzoylphenyl)-3-(2,3-dichlorophenyl)thiourea

1-(2-benzoylphenyl)-3-(2,3-dichlorophenyl)thiourea (PubChem CID 19648807) has the molecular formula C20H14Cl2N2OS and a molecular weight of 401.32 g/mol. Its IUPAC name is 1-(2-benzoylphenyl)-3-(2,3-dichlorophenyl)thiourea.

Molecular Properties

Compound Name1-(2-benzoylphenyl)-3-(2,3-dichlorophenyl)thiourea
PubChem CID19648807
Molecular FormulaC20H14Cl2N2OS
Molecular Weight401.32 g/mol
Exact Mass400.02
IUPAC Name1-(2-benzoylphenyl)-3-(2,3-dichlorophenyl)thiourea
SMILESO=C(c1ccccc1)c1ccccc1NC(=S)Nc1cccc(Cl)c1Cl
InChIInChI=1S/C20H14Cl2N2OS/c21-15-10-6-12-17(18(15)22)24-20(26)23-16-11-5-4-9-14(16)19(25)13-7-2-1-3-8-13/h1-12H,(H2,23,24,26)
InChIKeyKXOVUHKFLHCQOC-UHFFFAOYSA-N
XLogP6.03
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.32
LogP ≤ 56.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anthranil_one_A(38)', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze 1-(2-benzoylphenyl)-3-(2,3-dichlorophenyl)thiourea 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-(2-benzoylphenyl)-3-(4-bromo-2-chlorophenyl)thiourea
CID 19648826
1-[2-(4-chlorobenzoyl)phenyl]-3-phenylthiourea
CID 1235704
1-(3-acetylphenyl)-3-(2-benzoylphenyl)thiourea
CID 19648824
1-(2-benzoylphenyl)-3-[2-(trifluoromethyl)phenyl]thiourea
CID 17255689
N-(2-benzoylphenyl)-2-(2-chlorophenyl)acetamide
CID 100633810
1-(2,3-dichlorophenyl)-3-(2-fluorophenyl)thiourea
CID 4841872
N-(2-benzoylphenyl)-2-oxo-2-phenylacetamide
CID 614189
1-(2-benzoylphenyl)-3-(3-methoxyphenyl)thiourea
CID 19648798
(2-chlorophenyl)-phenylmethanone;diphenylmethanone
CID 157388336
N-(2,3-dichlorophenyl)-2-iodobenzamide
CID 1043515
N-(2-benzoylphenyl)-4-iodobenzamide
CID 76851682
N-(2-benzoylphenyl)cyclopropanecarboxamide
CID 607537

Frequently Asked Questions

What is the IUPAC name of 1-(2-benzoylphenyl)-3-(2,3-dichlorophenyl)thiourea?
The IUPAC name of 1-(2-benzoylphenyl)-3-(2,3-dichlorophenyl)thiourea (CID 19648807) is 1-(2-benzoylphenyl)-3-(2,3-dichlorophenyl)thiourea.
What is the SMILES notation for 1-(2-benzoylphenyl)-3-(2,3-dichlorophenyl)thiourea?
The canonical SMILES for 1-(2-benzoylphenyl)-3-(2,3-dichlorophenyl)thiourea is O=C(c1ccccc1)c1ccccc1NC(=S)Nc1cccc(Cl)c1Cl.
What is the InChIKey of 1-(2-benzoylphenyl)-3-(2,3-dichlorophenyl)thiourea?
The InChIKey is KXOVUHKFLHCQOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14Cl2N2OS/c21-15-10-6-12-17(18(15)22)24-20(26)23-16-11-5-4-9-14(16)19(25)13-7-2-1-3-8-13/h1-12H,(H2,23,24,26).
What are the key properties of 1-(2-benzoylphenyl)-3-(2,3-dichlorophenyl)thiourea?
1-(2-benzoylphenyl)-3-(2,3-dichlorophenyl)thiourea has a molecular weight of 401.32 g/mol, XLogP of 6.03, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-benzoylphenyl)-3-(2,3-dichlorophenyl)thiourea is sourced from PubChem (CID 19648807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).