1-[(2-chlorobenzoyl)amino]-3-(2-chlorophenyl)thiourea

C14H11Cl2N3OS — CID 24819610

IUPAC1-[(2-chlorobenzoyl)amino]-3-(2-chlorophenyl)thiourea
SMILESO=C(NNC(=S)Nc1ccccc1Cl)c1ccccc1Cl
InChIInChI=1S/C14H11Cl2N3OS/c15-10-6-2-1-5-9(10)13(20)18-19-14(21)17-12-8-4-3-7-11(12)16/h1-8H,(H,18,20)(H2,17,19,21)
InChIKeyCTVLHSWKOUWAOE-UHFFFAOYSA-N
MW340.24 g/mol
LogP3.62
Rot. Bonds2

About 1-[(2-chlorobenzoyl)amino]-3-(2-chlorophenyl)thiourea

1-[(2-chlorobenzoyl)amino]-3-(2-chlorophenyl)thiourea (PubChem CID 24819610) has the molecular formula C14H11Cl2N3OS and a molecular weight of 340.24 g/mol. Its IUPAC name is 1-[(2-chlorobenzoyl)amino]-3-(2-chlorophenyl)thiourea.

Molecular Properties

Compound Name1-[(2-chlorobenzoyl)amino]-3-(2-chlorophenyl)thiourea
PubChem CID24819610
Molecular FormulaC14H11Cl2N3OS
Molecular Weight340.24 g/mol
Exact Mass339.00
IUPAC Name1-[(2-chlorobenzoyl)amino]-3-(2-chlorophenyl)thiourea
SMILESO=C(NNC(=S)Nc1ccccc1Cl)c1ccccc1Cl
InChIInChI=1S/C14H11Cl2N3OS/c15-10-6-2-1-5-9(10)13(20)18-19-14(21)17-12-8-4-3-7-11(12)16/h1-8H,(H,18,20)(H2,17,19,21)
InChIKeyCTVLHSWKOUWAOE-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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Related Compounds

N-(((2-Chlorophenyl)amino)thioxomethyl)benzamide
CID 692093
N-(((4-Chlorophenyl)amino)thioxomethyl)benzamide
CID 701011
N-(((2,6-Dichlorophenyl)amino)thioxomethyl)benzamide
CID 702451
1-Benzoyl-4-phenyl-3-thiosemicarbazide
CID 735919
N-(3-chloro-4-methylphenyl)-2-(3-nitrobenzoyl)hydrazine-1-carbothioamide
CID 3486183
1-Benzamido-3-(4-chlorophenyl)thiourea
CID 5202474
N-[(3-chloro-2-methylphenyl)carbamothioyl]benzamide
CID 708499
1-Benzoyl-3-(2,5-dichloro-phenyl)-thiourea
CID 881405
N-(((3-Chlorophenyl)amino)thioxomethyl)benzamide
CID 909200
N-({[(3-chlorophenyl)amino]thioxomethyl}amino)benzamide
CID 24819125
N-(((4-chlorophenyl)carbamothioyl)amino)-2-phenylacetamide
CID 848934
3-chloro-N-(phenylcarbamothioyl)benzamide
CID 1227594

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chlorobenzoyl)amino]-3-(2-chlorophenyl)thiourea?
The IUPAC name of 1-[(2-chlorobenzoyl)amino]-3-(2-chlorophenyl)thiourea (CID 24819610) is 1-[(2-chlorobenzoyl)amino]-3-(2-chlorophenyl)thiourea.
What is the SMILES notation for 1-[(2-chlorobenzoyl)amino]-3-(2-chlorophenyl)thiourea?
The canonical SMILES for 1-[(2-chlorobenzoyl)amino]-3-(2-chlorophenyl)thiourea is O=C(NNC(=S)Nc1ccccc1Cl)c1ccccc1Cl.
What is the InChIKey of 1-[(2-chlorobenzoyl)amino]-3-(2-chlorophenyl)thiourea?
The InChIKey is CTVLHSWKOUWAOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl2N3OS/c15-10-6-2-1-5-9(10)13(20)18-19-14(21)17-12-8-4-3-7-11(12)16/h1-8H,(H,18,20)(H2,17,19,21).
What are the key properties of 1-[(2-chlorobenzoyl)amino]-3-(2-chlorophenyl)thiourea?
1-[(2-chlorobenzoyl)amino]-3-(2-chlorophenyl)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-[(2-chlorobenzoyl)amino]-3-(2-chlorophenyl)thiourea is sourced from PubChem (CID 24819610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).