1-(3-chloro-4-fluorophenyl)-3-(2-phenylphenyl)thiourea

C19H14ClFN2S — CID 19711789

IUPAC1-(3-chloro-4-fluorophenyl)-3-(2-phenylphenyl)thiourea
SMILESFc1ccc(NC(=S)Nc2ccccc2-c2ccccc2)cc1Cl
InChIInChI=1S/C19H14ClFN2S/c20-16-12-14(10-11-17(16)21)22-19(24)23-18-9-5-4-8-15(18)13-6-2-1-3-7-13/h1-12H,(H2,22,23,24)
InChIKeyUUGSOJASGWKKRR-UHFFFAOYSA-N
MW356.85 g/mol
LogP5.95
Rot. Bonds3

About 1-(3-chloro-4-fluorophenyl)-3-(2-phenylphenyl)thiourea

1-(3-chloro-4-fluorophenyl)-3-(2-phenylphenyl)thiourea (PubChem CID 19711789) has the molecular formula C19H14ClFN2S and a molecular weight of 356.85 g/mol. Its IUPAC name is 1-(3-chloro-4-fluorophenyl)-3-(2-phenylphenyl)thiourea.

Molecular Properties

Compound Name1-(3-chloro-4-fluorophenyl)-3-(2-phenylphenyl)thiourea
PubChem CID19711789
Molecular FormulaC19H14ClFN2S
Molecular Weight356.85 g/mol
Exact Mass356.06
IUPAC Name1-(3-chloro-4-fluorophenyl)-3-(2-phenylphenyl)thiourea
SMILESFc1ccc(NC(=S)Nc2ccccc2-c2ccccc2)cc1Cl
InChIInChI=1S/C19H14ClFN2S/c20-16-12-14(10-11-17(16)21)22-19(24)23-18-9-5-4-8-15(18)13-6-2-1-3-7-13/h1-12H,(H2,22,23,24)
InChIKeyUUGSOJASGWKKRR-UHFFFAOYSA-N
XLogP5.95
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.85
LogP ≤ 55.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(2-bromophenyl)-3-(3-chloro-4-fluorophenyl)thiourea
CID 5207325
1-(3-chloro-4-fluorophenyl)-3-(4-phenyl-1,3-thiazol-2-yl)thiourea
CID 21008676
1-(3-chloro-4-fluorophenyl)-3-(2-fluoro-4-methylphenyl)thiourea
CID 53364990
1-(3,4-dichlorophenyl)-3-(2,5-difluorophenyl)thiourea
CID 17380627
1-(3-chloro-4-fluorophenyl)-3-[(2-fluorophenyl)methyl]thiourea
CID 8749644
[(1S)-2-[(3-chloro-4-fluorophenyl)carbamothioylamino]-1-phenylethyl]-dimethylazanium
CID 8742807
1-[4-(1,3-benzothiazol-2-yl)phenyl]-3-(3-chloro-4-fluorophenyl)thiourea
CID 21008643
1-(3-chloro-4-fluorophenyl)-3-(2,5-dimethoxyphenyl)thiourea
CID 972689
1-(2,4-dichlorophenyl)-3-phenylthiourea
CID 800229
[(2R)-1-[(3-chloro-4-fluorophenyl)carbamothioylamino]-3-phenylpropan-2-yl]-dimethylazanium
CID 8678722
1-(3-chloro-4-fluorophenyl)-3-[(E)-(4-chlorophenyl)methylideneamino]thiourea
CID 11371268
1-(3-chloro-4-fluorophenyl)-3-(1,3-dihydroxy-2-methylpropan-2-yl)thiourea
CID 2804702

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-fluorophenyl)-3-(2-phenylphenyl)thiourea?
The IUPAC name of 1-(3-chloro-4-fluorophenyl)-3-(2-phenylphenyl)thiourea (CID 19711789) is 1-(3-chloro-4-fluorophenyl)-3-(2-phenylphenyl)thiourea.
What is the SMILES notation for 1-(3-chloro-4-fluorophenyl)-3-(2-phenylphenyl)thiourea?
The canonical SMILES for 1-(3-chloro-4-fluorophenyl)-3-(2-phenylphenyl)thiourea is Fc1ccc(NC(=S)Nc2ccccc2-c2ccccc2)cc1Cl.
What is the InChIKey of 1-(3-chloro-4-fluorophenyl)-3-(2-phenylphenyl)thiourea?
The InChIKey is UUGSOJASGWKKRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClFN2S/c20-16-12-14(10-11-17(16)21)22-19(24)23-18-9-5-4-8-15(18)13-6-2-1-3-7-13/h1-12H,(H2,22,23,24).
What are the key properties of 1-(3-chloro-4-fluorophenyl)-3-(2-phenylphenyl)thiourea?
1-(3-chloro-4-fluorophenyl)-3-(2-phenylphenyl)thiourea has a molecular weight of 356.85 g/mol, XLogP of 5.95, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-fluorophenyl)-3-(2-phenylphenyl)thiourea is sourced from PubChem (CID 19711789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).