1-[(4-chlorobenzoyl)amino]-3-(2-chloro-5-nitrophenyl)thiourea

C14H10Cl2N4O3S — CID 8668718

IUPAC1-[(4-chlorobenzoyl)amino]-3-(2-chloro-5-nitrophenyl)thiourea
SMILESO=C(NNC(=S)Nc1cc([N+](=O)[O-])ccc1Cl)c1ccc(Cl)cc1
InChIInChI=1S/C14H10Cl2N4O3S/c15-9-3-1-8(2-4-9)13(21)18-19-14(24)17-12-7-10(20(22)23)5-6-11(12)16/h1-7H,(H,18,21)(H2,17,19,24)
InChIKeyPLADROODSGNWOU-UHFFFAOYSA-N
MW385.23 g/mol
LogP3.53
Rot. Bonds3

About 1-[(4-chlorobenzoyl)amino]-3-(2-chloro-5-nitrophenyl)thiourea

1-[(4-chlorobenzoyl)amino]-3-(2-chloro-5-nitrophenyl)thiourea (PubChem CID 8668718) has the molecular formula C14H10Cl2N4O3S and a molecular weight of 385.23 g/mol. Its IUPAC name is 1-[(4-chlorobenzoyl)amino]-3-(2-chloro-5-nitrophenyl)thiourea.

Molecular Properties

Compound Name1-[(4-chlorobenzoyl)amino]-3-(2-chloro-5-nitrophenyl)thiourea
PubChem CID8668718
Molecular FormulaC14H10Cl2N4O3S
Molecular Weight385.23 g/mol
Exact Mass383.99
IUPAC Name1-[(4-chlorobenzoyl)amino]-3-(2-chloro-5-nitrophenyl)thiourea
SMILESO=C(NNC(=S)Nc1cc([N+](=O)[O-])ccc1Cl)c1ccc(Cl)cc1
InChIInChI=1S/C14H10Cl2N4O3S/c15-9-3-1-8(2-4-9)13(21)18-19-14(24)17-12-7-10(20(22)23)5-6-11(12)16/h1-7H,(H,18,21)(H2,17,19,24)
InChIKeyPLADROODSGNWOU-UHFFFAOYSA-N
XLogP3.53
TPSA96.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.23
LogP ≤ 53.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-[(4-chlorobenzoyl)amino]-3-(2-chloro-5-nitrophenyl)thiourea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(3-chlorobenzoyl)amino]-3-(2-chloro-5-nitrophenyl)thiourea
CID 8730969
4-chloro-N-(2-chloro-5-nitrophenyl)benzamide
CID 720125
1-[(5-chloro-2-hydroxybenzoyl)amino]-3-(2-chloro-5-nitrophenyl)thiourea
CID 9096982
1-acetamido-3-(2-chloro-5-nitrophenyl)thiourea
CID 7942937
N-[(2-chloro-5-nitrophenyl)carbamothioyl]-4-methylbenzamide
CID 801902
1-(2-chloro-5-nitrophenyl)-3-(2-methoxyethylcarbamothioylamino)thiourea
CID 8654300
1-(4-acetylphenyl)-3-(2-chloro-5-nitrophenyl)thiourea
CID 2621126
1-(2-chloro-5-nitrophenyl)-3-(3,5-dimethylanilino)thiourea
CID 8786441
4-chloro-N-[[(4-chloro-3-nitrobenzoyl)amino]carbamothioyl]benzamide
CID 3555282
N-(2-chloro-5-nitrophenyl)-4-phenylbenzamide
CID 5222418
2-(4-chlorophenyl)-N-[[(4-nitrobenzoyl)amino]carbamothioyl]acetamide
CID 4937128
3,4-dichloro-N'-(4-nitrobenzoyl)benzohydrazide
CID 3339172

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorobenzoyl)amino]-3-(2-chloro-5-nitrophenyl)thiourea?
The IUPAC name of 1-[(4-chlorobenzoyl)amino]-3-(2-chloro-5-nitrophenyl)thiourea (CID 8668718) is 1-[(4-chlorobenzoyl)amino]-3-(2-chloro-5-nitrophenyl)thiourea.
What is the SMILES notation for 1-[(4-chlorobenzoyl)amino]-3-(2-chloro-5-nitrophenyl)thiourea?
The canonical SMILES for 1-[(4-chlorobenzoyl)amino]-3-(2-chloro-5-nitrophenyl)thiourea is O=C(NNC(=S)Nc1cc([N+](=O)[O-])ccc1Cl)c1ccc(Cl)cc1.
What is the InChIKey of 1-[(4-chlorobenzoyl)amino]-3-(2-chloro-5-nitrophenyl)thiourea?
The InChIKey is PLADROODSGNWOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl2N4O3S/c15-9-3-1-8(2-4-9)13(21)18-19-14(24)17-12-7-10(20(22)23)5-6-11(12)16/h1-7H,(H,18,21)(H2,17,19,24).
What are the key properties of 1-[(4-chlorobenzoyl)amino]-3-(2-chloro-5-nitrophenyl)thiourea?
1-[(4-chlorobenzoyl)amino]-3-(2-chloro-5-nitrophenyl)thiourea has a molecular weight of 385.23 g/mol, XLogP of 3.53, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorobenzoyl)amino]-3-(2-chloro-5-nitrophenyl)thiourea is sourced from PubChem (CID 8668718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).