4-carbamothioyl-N-(2,5-dichlorophenyl)benzamide

C14H10Cl2N2OS — CID 29037968

IUPAC4-carbamothioyl-N-(2,5-dichlorophenyl)benzamide
SMILESNC(=S)c1ccc(C(=O)Nc2cc(Cl)ccc2Cl)cc1
InChIInChI=1S/C14H10Cl2N2OS/c15-10-5-6-11(16)12(7-10)18-14(19)9-3-1-8(2-4-9)13(17)20/h1-7H,(H2,17,20)(H,18,19)
InChIKeyMUORTLNMUDZCTI-UHFFFAOYSA-N
MW325.22 g/mol
LogP3.88
Rot. Bonds3

About 4-carbamothioyl-N-(2,5-dichlorophenyl)benzamide

4-carbamothioyl-N-(2,5-dichlorophenyl)benzamide (PubChem CID 29037968) has the molecular formula C14H10Cl2N2OS and a molecular weight of 325.22 g/mol. Its IUPAC name is 4-carbamothioyl-N-(2,5-dichlorophenyl)benzamide.

Molecular Properties

Compound Name4-carbamothioyl-N-(2,5-dichlorophenyl)benzamide
PubChem CID29037968
Molecular FormulaC14H10Cl2N2OS
Molecular Weight325.22 g/mol
Exact Mass323.99
IUPAC Name4-carbamothioyl-N-(2,5-dichlorophenyl)benzamide
SMILESNC(=S)c1ccc(C(=O)Nc2cc(Cl)ccc2Cl)cc1
InChIInChI=1S/C14H10Cl2N2OS/c15-10-5-6-11(16)12(7-10)18-14(19)9-3-1-8(2-4-9)13(17)20/h1-7H,(H2,17,20)(H,18,19)
InChIKeyMUORTLNMUDZCTI-UHFFFAOYSA-N
XLogP3.88
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.22
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

N-(2-bromo-5-chlorophenyl)-4-carbamothioylbenzamide
CID 81270417
4-bromo-N-(2,5-dichlorophenyl)benzamide
CID 763593
N-(2,5-dichlorophenyl)benzamide;hydroiodide
CID 175991469
3-carbamothioyl-N-(5-chloro-2-fluorophenyl)benzamide
CID 43438538
N-(2,5-dichlorophenyl)-1H-pyrazole-4-carboxamide
CID 43582385
N-(2,5-dichlorophenyl)-4-(difluoromethoxy)benzamide
CID 4846901
N-(2-amino-5-chlorophenyl)-4-chlorobenzamide
CID 16771665
N-(5-chloro-2-fluorophenyl)-4-fluorobenzamide
CID 2664585
N-(2-carbamothioyl-5-chlorophenyl)-4-ethylbenzamide
CID 64916815
N-(2,5-dichlorophenyl)-4-(piperidine-1-carbonyl)benzamide
CID 109044703
5-carbamothioyl-N-(5-chloro-2-fluorophenyl)pyridine-2-carboxamide
CID 63722901
2-amino-4-chloro-N-(2,5-dichlorophenyl)benzamide
CID 29037738

Frequently Asked Questions

What is the IUPAC name of 4-carbamothioyl-N-(2,5-dichlorophenyl)benzamide?
The IUPAC name of 4-carbamothioyl-N-(2,5-dichlorophenyl)benzamide (CID 29037968) is 4-carbamothioyl-N-(2,5-dichlorophenyl)benzamide.
What is the SMILES notation for 4-carbamothioyl-N-(2,5-dichlorophenyl)benzamide?
The canonical SMILES for 4-carbamothioyl-N-(2,5-dichlorophenyl)benzamide is NC(=S)c1ccc(C(=O)Nc2cc(Cl)ccc2Cl)cc1.
What is the InChIKey of 4-carbamothioyl-N-(2,5-dichlorophenyl)benzamide?
The InChIKey is MUORTLNMUDZCTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl2N2OS/c15-10-5-6-11(16)12(7-10)18-14(19)9-3-1-8(2-4-9)13(17)20/h1-7H,(H2,17,20)(H,18,19).
What are the key properties of 4-carbamothioyl-N-(2,5-dichlorophenyl)benzamide?
4-carbamothioyl-N-(2,5-dichlorophenyl)benzamide has a molecular weight of 325.22 g/mol, XLogP of 3.88, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-carbamothioyl-N-(2,5-dichlorophenyl)benzamide is sourced from PubChem (CID 29037968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).