1-(2-chlorophenyl)-3-[(2,4-dichlorobenzoyl)amino]thiourea

C14H10Cl3N3OS — CID 13329340

IUPAC1-(2-chlorophenyl)-3-[(2,4-dichlorobenzoyl)amino]thiourea
SMILESO=C(NNC(=S)Nc1ccccc1Cl)c1ccc(Cl)cc1Cl
InChIInChI=1S/C14H10Cl3N3OS/c15-8-5-6-9(11(17)7-8)13(21)19-20-14(22)18-12-4-2-1-3-10(12)16/h1-7H,(H,19,21)(H2,18,20,22)
InChIKeyDUDOCUCBNGFGMT-UHFFFAOYSA-N
MW374.68 g/mol
LogP4.28
Rot. Bonds2

About 1-(2-chlorophenyl)-3-[(2,4-dichlorobenzoyl)amino]thiourea

1-(2-chlorophenyl)-3-[(2,4-dichlorobenzoyl)amino]thiourea (PubChem CID 13329340) has the molecular formula C14H10Cl3N3OS and a molecular weight of 374.68 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-3-[(2,4-dichlorobenzoyl)amino]thiourea.

Molecular Properties

Compound Name1-(2-chlorophenyl)-3-[(2,4-dichlorobenzoyl)amino]thiourea
PubChem CID13329340
Molecular FormulaC14H10Cl3N3OS
Molecular Weight374.68 g/mol
Exact Mass372.96
IUPAC Name1-(2-chlorophenyl)-3-[(2,4-dichlorobenzoyl)amino]thiourea
SMILESO=C(NNC(=S)Nc1ccccc1Cl)c1ccc(Cl)cc1Cl
InChIInChI=1S/C14H10Cl3N3OS/c15-8-5-6-9(11(17)7-8)13(21)19-20-14(22)18-12-4-2-1-3-10(12)16/h1-7H,(H,19,21)(H2,18,20,22)
InChIKeyDUDOCUCBNGFGMT-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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Related Compounds

2,4-dichloro-N-[[(2-hydroxybenzoyl)amino]carbamothioyl]benzamide
CID 3504913
N-[[2-(azepane-1-carbonyl)phenyl]carbamothioyl]-2,4-dichlorobenzamide
CID 4937958
2-bromo-N-[[(2,4-dichlorobenzoyl)amino]carbamothioyl]benzamide
CID 4636694
N-[(2,4-dichlorobenzoyl)amino]carbamodithioate
CID 135747047
1-[(2-chlorobenzoyl)amino]-3-(2-methoxyphenyl)thiourea
CID 2796729
1-[(2-chlorobenzoyl)amino]-3-(2,3-dimethylphenyl)thiourea
CID 4873618
1-[(2-chlorobenzoyl)amino]-3-phenylthiourea
CID 720612
2-[[(2,4-dichlorobenzoyl)amino]carbamoyl]benzoic acid
CID 1010177
2-chloro-N-[(5-chloro-2-hydroxyphenyl)carbamothioyl]benzamide
CID 4942210
2,4-dichloro-N-[2-[2-[(2,3-dimethylphenyl)carbamothioyl]hydrazinyl]-2-oxoethyl]benzamide
CID 35780060
2,4-dichloro-N-[(2-chloro-3-pyridinyl)carbamothioyl]benzamide
CID 2134804
4-bromo-N-[2-[[(2,4-dichlorobenzoyl)amino]carbamoyl]phenyl]benzamide
CID 126004546

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-3-[(2,4-dichlorobenzoyl)amino]thiourea?
The IUPAC name of 1-(2-chlorophenyl)-3-[(2,4-dichlorobenzoyl)amino]thiourea (CID 13329340) is 1-(2-chlorophenyl)-3-[(2,4-dichlorobenzoyl)amino]thiourea.
What is the SMILES notation for 1-(2-chlorophenyl)-3-[(2,4-dichlorobenzoyl)amino]thiourea?
The canonical SMILES for 1-(2-chlorophenyl)-3-[(2,4-dichlorobenzoyl)amino]thiourea is O=C(NNC(=S)Nc1ccccc1Cl)c1ccc(Cl)cc1Cl.
What is the InChIKey of 1-(2-chlorophenyl)-3-[(2,4-dichlorobenzoyl)amino]thiourea?
The InChIKey is DUDOCUCBNGFGMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl3N3OS/c15-8-5-6-9(11(17)7-8)13(21)19-20-14(22)18-12-4-2-1-3-10(12)16/h1-7H,(H,19,21)(H2,18,20,22).
What are the key properties of 1-(2-chlorophenyl)-3-[(2,4-dichlorobenzoyl)amino]thiourea?
1-(2-chlorophenyl)-3-[(2,4-dichlorobenzoyl)amino]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-chlorophenyl)-3-[(2,4-dichlorobenzoyl)amino]thiourea is sourced from PubChem (CID 13329340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).