1-benzamido-3-(3,4-dichlorophenyl)thiourea

C14H11Cl2N3OS — CID 154695736

IUPAC1-benzamido-3-(3,4-dichlorophenyl)thiourea
SMILESO=C(NNC(=S)Nc1ccc(Cl)c(Cl)c1)c1ccccc1
InChIInChI=1S/C14H11Cl2N3OS/c15-11-7-6-10(8-12(11)16)17-14(21)19-18-13(20)9-4-2-1-3-5-9/h1-8H,(H,18,20)(H2,17,19,21)
InChIKeyHLPPTHSVCLMECP-UHFFFAOYSA-N
MW340.24 g/mol
LogP3.62
Rot. Bonds2

About 1-benzamido-3-(3,4-dichlorophenyl)thiourea

1-benzamido-3-(3,4-dichlorophenyl)thiourea (PubChem CID 154695736) has the molecular formula C14H11Cl2N3OS and a molecular weight of 340.24 g/mol. Its IUPAC name is 1-benzamido-3-(3,4-dichlorophenyl)thiourea.

Molecular Properties

Compound Name1-benzamido-3-(3,4-dichlorophenyl)thiourea
PubChem CID154695736
Molecular FormulaC14H11Cl2N3OS
Molecular Weight340.24 g/mol
Exact Mass339.00
IUPAC Name1-benzamido-3-(3,4-dichlorophenyl)thiourea
SMILESO=C(NNC(=S)Nc1ccc(Cl)c(Cl)c1)c1ccccc1
InChIInChI=1S/C14H11Cl2N3OS/c15-11-7-6-10(8-12(11)16)17-14(21)19-18-13(20)9-4-2-1-3-5-9/h1-8H,(H,18,20)(H2,17,19,21)
InChIKeyHLPPTHSVCLMECP-UHFFFAOYSA-N
XLogP3.62
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.24
LogP ≤ 53.62
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-benzamido-3-(3,4-dichlorophenyl)thiourea?
The IUPAC name of 1-benzamido-3-(3,4-dichlorophenyl)thiourea (CID 154695736) is 1-benzamido-3-(3,4-dichlorophenyl)thiourea.
What is the SMILES notation for 1-benzamido-3-(3,4-dichlorophenyl)thiourea?
The canonical SMILES for 1-benzamido-3-(3,4-dichlorophenyl)thiourea is O=C(NNC(=S)Nc1ccc(Cl)c(Cl)c1)c1ccccc1.
What is the InChIKey of 1-benzamido-3-(3,4-dichlorophenyl)thiourea?
The InChIKey is HLPPTHSVCLMECP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl2N3OS/c15-11-7-6-10(8-12(11)16)17-14(21)19-18-13(20)9-4-2-1-3-5-9/h1-8H,(H,18,20)(H2,17,19,21).
What are the key properties of 1-benzamido-3-(3,4-dichlorophenyl)thiourea?
1-benzamido-3-(3,4-dichlorophenyl)thiourea has a molecular weight of 340.24 g/mol, XLogP of 3.62, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzamido-3-(3,4-dichlorophenyl)thiourea is sourced from PubChem (CID 154695736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).