1-[2-(4-chlorobenzoyl)phenyl]-3-phenylthiourea

C20H15ClN2OS — CID 1235704

IUPAC1-[2-(4-chlorobenzoyl)phenyl]-3-phenylthiourea
SMILESO=C(c1ccc(Cl)cc1)c1ccccc1NC(=S)Nc1ccccc1
InChIInChI=1S/C20H15ClN2OS/c21-15-12-10-14(11-13-15)19(24)17-8-4-5-9-18(17)23-20(25)22-16-6-2-1-3-7-16/h1-13H,(H2,22,23,25)
InChIKeyQIROJEUJKDMXRJ-UHFFFAOYSA-N
MW366.87 g/mol
LogP5.38
Rot. Bonds4

About 1-[2-(4-chlorobenzoyl)phenyl]-3-phenylthiourea

1-[2-(4-chlorobenzoyl)phenyl]-3-phenylthiourea (PubChem CID 1235704) has the molecular formula C20H15ClN2OS and a molecular weight of 366.87 g/mol. Its IUPAC name is 1-[2-(4-chlorobenzoyl)phenyl]-3-phenylthiourea.

Molecular Properties

Compound Name1-[2-(4-chlorobenzoyl)phenyl]-3-phenylthiourea
PubChem CID1235704
Molecular FormulaC20H15ClN2OS
Molecular Weight366.87 g/mol
Exact Mass366.06
IUPAC Name1-[2-(4-chlorobenzoyl)phenyl]-3-phenylthiourea
SMILESO=C(c1ccc(Cl)cc1)c1ccccc1NC(=S)Nc1ccccc1
InChIInChI=1S/C20H15ClN2OS/c21-15-12-10-14(11-13-15)19(24)17-8-4-5-9-18(17)23-20(25)22-16-6-2-1-3-7-16/h1-13H,(H2,22,23,25)
InChIKeyQIROJEUJKDMXRJ-UHFFFAOYSA-N
XLogP5.38
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.87
LogP ≤ 55.38
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'}

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Related Compounds

1-(3-acetylphenyl)-3-(2-benzoylphenyl)thiourea
CID 19648824
1-(2-benzoylphenyl)-3-(2,3-dichlorophenyl)thiourea
CID 19648807
1-(2-benzoyl-4-chlorophenyl)-3-(4-methylphenyl)thiourea
CID 100639453
2-[(4-carboxyphenyl)carbamothioylamino]benzoic acid
CID 110193653
1-[4-chloro-2-(2-fluorobenzoyl)phenyl]-3-phenylthiourea
CID 4120115
2-[(3-chlorophenyl)carbamothioylamino]benzoic acid
CID 91687128
1-(2-benzoylphenyl)-3-(3-methoxyphenyl)thiourea
CID 19648798
1-(2-benzoylphenyl)-3-(4-bromo-2-chlorophenyl)thiourea
CID 19648826
2-[(4-chlorophenyl)carbamothioylamino]-N-(2-phenylethyl)benzamide
CID 100642465
N,N-dimethyl-2-(phenylcarbamothioylamino)benzamide
CID 4942406
1-(2-benzoylphenyl)-3-[2-(trifluoromethyl)phenyl]thiourea
CID 17255689
1-[2-(3-chlorobenzoyl)phenyl]-3-phenylurea
CID 4738250

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-chlorobenzoyl)phenyl]-3-phenylthiourea?
The IUPAC name of 1-[2-(4-chlorobenzoyl)phenyl]-3-phenylthiourea (CID 1235704) is 1-[2-(4-chlorobenzoyl)phenyl]-3-phenylthiourea.
What is the SMILES notation for 1-[2-(4-chlorobenzoyl)phenyl]-3-phenylthiourea?
The canonical SMILES for 1-[2-(4-chlorobenzoyl)phenyl]-3-phenylthiourea is O=C(c1ccc(Cl)cc1)c1ccccc1NC(=S)Nc1ccccc1.
What is the InChIKey of 1-[2-(4-chlorobenzoyl)phenyl]-3-phenylthiourea?
The InChIKey is QIROJEUJKDMXRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClN2OS/c21-15-12-10-14(11-13-15)19(24)17-8-4-5-9-18(17)23-20(25)22-16-6-2-1-3-7-16/h1-13H,(H2,22,23,25).
What are the key properties of 1-[2-(4-chlorobenzoyl)phenyl]-3-phenylthiourea?
1-[2-(4-chlorobenzoyl)phenyl]-3-phenylthiourea has a molecular weight of 366.87 g/mol, XLogP of 5.38, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-chlorobenzoyl)phenyl]-3-phenylthiourea is sourced from PubChem (CID 1235704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).