1-[(2-chlorobenzoyl)amino]-3-(2,5-dichlorophenyl)thiourea

C14H10Cl3N3OS — CID 2796732

IUPAC1-[(2-chlorobenzoyl)amino]-3-(2,5-dichlorophenyl)thiourea
SMILESO=C(NNC(=S)Nc1cc(Cl)ccc1Cl)c1ccccc1Cl
InChIInChI=1S/C14H10Cl3N3OS/c15-8-5-6-11(17)12(7-8)18-14(22)20-19-13(21)9-3-1-2-4-10(9)16/h1-7H,(H,19,21)(H2,18,20,22)
InChIKeySWVAHDIAIJGFPZ-UHFFFAOYSA-N
MW374.68 g/mol
LogP4.28
Rot. Bonds2

About 1-[(2-chlorobenzoyl)amino]-3-(2,5-dichlorophenyl)thiourea

1-[(2-chlorobenzoyl)amino]-3-(2,5-dichlorophenyl)thiourea (PubChem CID 2796732) has the molecular formula C14H10Cl3N3OS and a molecular weight of 374.68 g/mol. Its IUPAC name is 1-[(2-chlorobenzoyl)amino]-3-(2,5-dichlorophenyl)thiourea.

Molecular Properties

Compound Name1-[(2-chlorobenzoyl)amino]-3-(2,5-dichlorophenyl)thiourea
PubChem CID2796732
Molecular FormulaC14H10Cl3N3OS
Molecular Weight374.68 g/mol
Exact Mass372.96
IUPAC Name1-[(2-chlorobenzoyl)amino]-3-(2,5-dichlorophenyl)thiourea
SMILESO=C(NNC(=S)Nc1cc(Cl)ccc1Cl)c1ccccc1Cl
InChIInChI=1S/C14H10Cl3N3OS/c15-8-5-6-11(17)12(7-8)18-14(22)20-19-13(21)9-3-1-2-4-10(9)16/h1-7H,(H,19,21)(H2,18,20,22)
InChIKeySWVAHDIAIJGFPZ-UHFFFAOYSA-N
XLogP4.28
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.68
LogP ≤ 54.28
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-chlorobenzoyl)amino]-3-(2,5-dichlorophenyl)thiourea?
The IUPAC name of 1-[(2-chlorobenzoyl)amino]-3-(2,5-dichlorophenyl)thiourea (CID 2796732) is 1-[(2-chlorobenzoyl)amino]-3-(2,5-dichlorophenyl)thiourea.
What is the SMILES notation for 1-[(2-chlorobenzoyl)amino]-3-(2,5-dichlorophenyl)thiourea?
The canonical SMILES for 1-[(2-chlorobenzoyl)amino]-3-(2,5-dichlorophenyl)thiourea is O=C(NNC(=S)Nc1cc(Cl)ccc1Cl)c1ccccc1Cl.
What is the InChIKey of 1-[(2-chlorobenzoyl)amino]-3-(2,5-dichlorophenyl)thiourea?
The InChIKey is SWVAHDIAIJGFPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl3N3OS/c15-8-5-6-11(17)12(7-8)18-14(22)20-19-13(21)9-3-1-2-4-10(9)16/h1-7H,(H,19,21)(H2,18,20,22).
What are the key properties of 1-[(2-chlorobenzoyl)amino]-3-(2,5-dichlorophenyl)thiourea?
1-[(2-chlorobenzoyl)amino]-3-(2,5-dichlorophenyl)thiourea has a molecular weight of 374.68 g/mol, XLogP of 4.28, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chlorobenzoyl)amino]-3-(2,5-dichlorophenyl)thiourea is sourced from PubChem (CID 2796732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).