1-[1-(2-chlorophenyl)cyclopentyl]-3-(3-fluorophenyl)thiourea

C18H18ClFN2S — CID 100768085

IUPAC1-[1-(2-chlorophenyl)cyclopentyl]-3-(3-fluorophenyl)thiourea
SMILESFc1cccc(NC(=S)NC2(c3ccccc3Cl)CCCC2)c1
InChIInChI=1S/C18H18ClFN2S/c19-16-9-2-1-8-15(16)18(10-3-4-11-18)22-17(23)21-14-7-5-6-13(20)12-14/h1-2,5-9,12H,3-4,10-11H2,(H2,21,22,23)
InChIKeyUDGICSHZOJODTQ-UHFFFAOYSA-N
MW348.87 g/mol
LogP5.24
Rot. Bonds3

About 1-[1-(2-chlorophenyl)cyclopentyl]-3-(3-fluorophenyl)thiourea

1-[1-(2-chlorophenyl)cyclopentyl]-3-(3-fluorophenyl)thiourea (PubChem CID 100768085) has the molecular formula C18H18ClFN2S and a molecular weight of 348.87 g/mol. Its IUPAC name is 1-[1-(2-chlorophenyl)cyclopentyl]-3-(3-fluorophenyl)thiourea.

Molecular Properties

Compound Name1-[1-(2-chlorophenyl)cyclopentyl]-3-(3-fluorophenyl)thiourea
PubChem CID100768085
Molecular FormulaC18H18ClFN2S
Molecular Weight348.87 g/mol
Exact Mass348.09
IUPAC Name1-[1-(2-chlorophenyl)cyclopentyl]-3-(3-fluorophenyl)thiourea
SMILESFc1cccc(NC(=S)NC2(c3ccccc3Cl)CCCC2)c1
InChIInChI=1S/C18H18ClFN2S/c19-16-9-2-1-8-15(16)18(10-3-4-11-18)22-17(23)21-14-7-5-6-13(20)12-14/h1-2,5-9,12H,3-4,10-11H2,(H2,21,22,23)
InChIKeyUDGICSHZOJODTQ-UHFFFAOYSA-N
XLogP5.24
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.87
LogP ≤ 55.24
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-[1-(2-chlorophenyl)cyclopentyl]-3-(3-methoxyphenyl)thiourea
CID 100766026
1-(3-fluorophenyl)-3-[1-[3-(trifluoromethyl)phenyl]cyclopentyl]thiourea
CID 100768081
1-[1-(2-chlorophenyl)cyclopentyl]-3-(2,5-dimethylphenyl)thiourea
CID 100764935
1-[1-(4-ethoxyphenyl)cyclopentyl]-3-(3-fluorophenyl)thiourea
CID 100768099
1-(3-chloro-4-fluorophenyl)-3-[1-(4-methylphenyl)cyclopentyl]thiourea
CID 100768468
1-(4-chlorophenyl)-3-(1-phenylcyclopentyl)thiourea
CID 100765608
1-cyclohexyl-3-(3-fluorophenyl)thiourea
CID 8657557
1-phenyl-3-(1-pyridin-2-ylcyclopentyl)thiourea
CID 100764504
1-(3-bromophenyl)-3-[1-(furan-2-yl)cyclopentyl]thiourea
CID 100765827
1-(3-chlorophenyl)-N-(3-fluorophenyl)cyclobutane-1-carboxamide
CID 31779380
1-(benzenesulfonamido)-3-(3-fluorophenyl)thiourea
CID 134097502
N-(3-fluorophenyl)-2-(1-hydroxycyclopentyl)acetamide
CID 111430420

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-chlorophenyl)cyclopentyl]-3-(3-fluorophenyl)thiourea?
The IUPAC name of 1-[1-(2-chlorophenyl)cyclopentyl]-3-(3-fluorophenyl)thiourea (CID 100768085) is 1-[1-(2-chlorophenyl)cyclopentyl]-3-(3-fluorophenyl)thiourea.
What is the SMILES notation for 1-[1-(2-chlorophenyl)cyclopentyl]-3-(3-fluorophenyl)thiourea?
The canonical SMILES for 1-[1-(2-chlorophenyl)cyclopentyl]-3-(3-fluorophenyl)thiourea is Fc1cccc(NC(=S)NC2(c3ccccc3Cl)CCCC2)c1.
What is the InChIKey of 1-[1-(2-chlorophenyl)cyclopentyl]-3-(3-fluorophenyl)thiourea?
The InChIKey is UDGICSHZOJODTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClFN2S/c19-16-9-2-1-8-15(16)18(10-3-4-11-18)22-17(23)21-14-7-5-6-13(20)12-14/h1-2,5-9,12H,3-4,10-11H2,(H2,21,22,23).
What are the key properties of 1-[1-(2-chlorophenyl)cyclopentyl]-3-(3-fluorophenyl)thiourea?
1-[1-(2-chlorophenyl)cyclopentyl]-3-(3-fluorophenyl)thiourea has a molecular weight of 348.87 g/mol, XLogP of 5.24, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-chlorophenyl)cyclopentyl]-3-(3-fluorophenyl)thiourea is sourced from PubChem (CID 100768085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).