3-carbamothioyl-N-(3-chloro-2-methylphenyl)benzamide

C15H13ClN2OS — CID 29302193

IUPAC3-carbamothioyl-N-(3-chloro-2-methylphenyl)benzamide
SMILESCc1c(Cl)cccc1NC(=O)c1cccc(C(N)=S)c1
InChIInChI=1S/C15H13ClN2OS/c1-9-12(16)6-3-7-13(9)18-15(19)11-5-2-4-10(8-11)14(17)20/h2-8H,1H3,(H2,17,20)(H,18,19)
InChIKeyAQTXFFIJLJTRSD-UHFFFAOYSA-N
MW304.80 g/mol
LogP3.53
Rot. Bonds3

About 3-carbamothioyl-N-(3-chloro-2-methylphenyl)benzamide

3-carbamothioyl-N-(3-chloro-2-methylphenyl)benzamide (PubChem CID 29302193) has the molecular formula C15H13ClN2OS and a molecular weight of 304.80 g/mol. Its IUPAC name is 3-carbamothioyl-N-(3-chloro-2-methylphenyl)benzamide.

Molecular Properties

Compound Name3-carbamothioyl-N-(3-chloro-2-methylphenyl)benzamide
PubChem CID29302193
Molecular FormulaC15H13ClN2OS
Molecular Weight304.80 g/mol
Exact Mass304.04
IUPAC Name3-carbamothioyl-N-(3-chloro-2-methylphenyl)benzamide
SMILESCc1c(Cl)cccc1NC(=O)c1cccc(C(N)=S)c1
InChIInChI=1S/C15H13ClN2OS/c1-9-12(16)6-3-7-13(9)18-15(19)11-5-2-4-10(8-11)14(17)20/h2-8H,1H3,(H2,17,20)(H,18,19)
InChIKeyAQTXFFIJLJTRSD-UHFFFAOYSA-N
XLogP3.53
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.80
LogP ≤ 53.53
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

3-carbamothioyl-N-(5-chloro-2-fluorophenyl)benzamide
CID 43438538
2-(4-carbamothioylphenyl)-N-(3-chloro-2-methylphenyl)acetamide
CID 63589257
N-(3-chloro-2-methylphenyl)-3-phenoxybenzamide
CID 2092667
3-(3-aminoprop-1-ynyl)-N-(3-chloro-2-methylphenyl)benzamide
CID 60820716
2-amino-N-(3-chloro-2-methylphenyl)-1,3-benzothiazole-6-carboxamide
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N-(3-chloro-2-methylphenyl)-2,3-dihydro-1H-indene-5-carboxamide
CID 9011354
3-chloro-N-(3-chloro-2-methylphenyl)-4-methoxybenzamide
CID 798477
3-N-(3-chloro-2-methylphenyl)-1-N-[3-(dimethylamino)propyl]benzene-1,3-dicarboxamide
CID 109053440
N-(3-chloro-2-methylphenyl)-3,5-dimethoxybenzamide
CID 795808
4-[4-[(3-chloro-2-methylphenyl)carbamoyl]phenoxy]benzamide
CID 56545392
N-(3-carbamothioylphenyl)-3-chloro-4-methylbenzamide
CID 63195318
N-(3-chloro-2-methylphenyl)-3-(4-formylpiperazine-1-carbonyl)benzamide
CID 109053818

Frequently Asked Questions

What is the IUPAC name of 3-carbamothioyl-N-(3-chloro-2-methylphenyl)benzamide?
The IUPAC name of 3-carbamothioyl-N-(3-chloro-2-methylphenyl)benzamide (CID 29302193) is 3-carbamothioyl-N-(3-chloro-2-methylphenyl)benzamide.
What is the SMILES notation for 3-carbamothioyl-N-(3-chloro-2-methylphenyl)benzamide?
The canonical SMILES for 3-carbamothioyl-N-(3-chloro-2-methylphenyl)benzamide is Cc1c(Cl)cccc1NC(=O)c1cccc(C(N)=S)c1.
What is the InChIKey of 3-carbamothioyl-N-(3-chloro-2-methylphenyl)benzamide?
The InChIKey is AQTXFFIJLJTRSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2OS/c1-9-12(16)6-3-7-13(9)18-15(19)11-5-2-4-10(8-11)14(17)20/h2-8H,1H3,(H2,17,20)(H,18,19).
What are the key properties of 3-carbamothioyl-N-(3-chloro-2-methylphenyl)benzamide?
3-carbamothioyl-N-(3-chloro-2-methylphenyl)benzamide has a molecular weight of 304.80 g/mol, XLogP of 3.53, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-carbamothioyl-N-(3-chloro-2-methylphenyl)benzamide is sourced from PubChem (CID 29302193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).