1-[[2-(4-chlorophenyl)cyclopropanecarbonyl]amino]-3-(4-fluorophenyl)thiourea

C17H15ClFN3OS — CID 5220035

IUPAC1-[[2-(4-chlorophenyl)cyclopropanecarbonyl]amino]-3-(4-fluorophenyl)thiourea
SMILESO=C(NNC(=S)Nc1ccc(F)cc1)C1CC1c1ccc(Cl)cc1
InChIInChI=1S/C17H15ClFN3OS/c18-11-3-1-10(2-4-11)14-9-15(14)16(23)21-22-17(24)20-13-7-5-12(19)6-8-13/h1-8,14-15H,9H2,(H,21,23)(H2,20,22,24)
InChIKeyNURLVWCSCJBVNO-UHFFFAOYSA-N
MW363.85 g/mol
LogP3.60
Rot. Bonds3

About 1-[[2-(4-chlorophenyl)cyclopropanecarbonyl]amino]-3-(4-fluorophenyl)thiourea

1-[[2-(4-chlorophenyl)cyclopropanecarbonyl]amino]-3-(4-fluorophenyl)thiourea (PubChem CID 5220035) has the molecular formula C17H15ClFN3OS and a molecular weight of 363.85 g/mol. Its IUPAC name is 1-[[2-(4-chlorophenyl)cyclopropanecarbonyl]amino]-3-(4-fluorophenyl)thiourea.

Molecular Properties

Compound Name1-[[2-(4-chlorophenyl)cyclopropanecarbonyl]amino]-3-(4-fluorophenyl)thiourea
PubChem CID5220035
Molecular FormulaC17H15ClFN3OS
Molecular Weight363.85 g/mol
Exact Mass363.06
IUPAC Name1-[[2-(4-chlorophenyl)cyclopropanecarbonyl]amino]-3-(4-fluorophenyl)thiourea
SMILESO=C(NNC(=S)Nc1ccc(F)cc1)C1CC1c1ccc(Cl)cc1
InChIInChI=1S/C17H15ClFN3OS/c18-11-3-1-10(2-4-11)14-9-15(14)16(23)21-22-17(24)20-13-7-5-12(19)6-8-13/h1-8,14-15H,9H2,(H,21,23)(H2,20,22,24)
InChIKeyNURLVWCSCJBVNO-UHFFFAOYSA-N
XLogP3.60
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.85
LogP ≤ 53.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[[2-(4-chlorophenyl)cyclopropanecarbonyl]amino]-3-(4-fluorophenyl)thiourea?
The IUPAC name of 1-[[2-(4-chlorophenyl)cyclopropanecarbonyl]amino]-3-(4-fluorophenyl)thiourea (CID 5220035) is 1-[[2-(4-chlorophenyl)cyclopropanecarbonyl]amino]-3-(4-fluorophenyl)thiourea.
What is the SMILES notation for 1-[[2-(4-chlorophenyl)cyclopropanecarbonyl]amino]-3-(4-fluorophenyl)thiourea?
The canonical SMILES for 1-[[2-(4-chlorophenyl)cyclopropanecarbonyl]amino]-3-(4-fluorophenyl)thiourea is O=C(NNC(=S)Nc1ccc(F)cc1)C1CC1c1ccc(Cl)cc1.
What is the InChIKey of 1-[[2-(4-chlorophenyl)cyclopropanecarbonyl]amino]-3-(4-fluorophenyl)thiourea?
The InChIKey is NURLVWCSCJBVNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClFN3OS/c18-11-3-1-10(2-4-11)14-9-15(14)16(23)21-22-17(24)20-13-7-5-12(19)6-8-13/h1-8,14-15H,9H2,(H,21,23)(H2,20,22,24).
What are the key properties of 1-[[2-(4-chlorophenyl)cyclopropanecarbonyl]amino]-3-(4-fluorophenyl)thiourea?
1-[[2-(4-chlorophenyl)cyclopropanecarbonyl]amino]-3-(4-fluorophenyl)thiourea has a molecular weight of 363.85 g/mol, XLogP of 3.60, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(4-chlorophenyl)cyclopropanecarbonyl]amino]-3-(4-fluorophenyl)thiourea is sourced from PubChem (CID 5220035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).