N-(4-carbamothioylphenyl)-4-chloro-N-methylbenzamide

C15H13ClN2OS — CID 62969966

IUPACN-(4-carbamothioylphenyl)-4-chloro-N-methylbenzamide
SMILESCN(C(=O)c1ccc(Cl)cc1)c1ccc(C(N)=S)cc1
InChIInChI=1S/C15H13ClN2OS/c1-18(13-8-4-10(5-9-13)14(17)20)15(19)11-2-6-12(16)7-3-11/h2-9H,1H3,(H2,17,20)
InChIKeyJBGUPKLYZNBXEF-UHFFFAOYSA-N
MW304.80 g/mol
LogP3.25
Rot. Bonds3

About N-(4-carbamothioylphenyl)-4-chloro-N-methylbenzamide

N-(4-carbamothioylphenyl)-4-chloro-N-methylbenzamide (PubChem CID 62969966) has the molecular formula C15H13ClN2OS and a molecular weight of 304.80 g/mol. Its IUPAC name is N-(4-carbamothioylphenyl)-4-chloro-N-methylbenzamide.

Molecular Properties

Compound NameN-(4-carbamothioylphenyl)-4-chloro-N-methylbenzamide
PubChem CID62969966
Molecular FormulaC15H13ClN2OS
Molecular Weight304.80 g/mol
Exact Mass304.04
IUPAC NameN-(4-carbamothioylphenyl)-4-chloro-N-methylbenzamide
SMILESCN(C(=O)c1ccc(Cl)cc1)c1ccc(C(N)=S)cc1
InChIInChI=1S/C15H13ClN2OS/c1-18(13-8-4-10(5-9-13)14(17)20)15(19)11-2-6-12(16)7-3-11/h2-9H,1H3,(H2,17,20)
InChIKeyJBGUPKLYZNBXEF-UHFFFAOYSA-N
XLogP3.25
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.80
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(4-carbamothioylphenyl)-4-fluoro-N-methylbenzamide
CID 62971873
N-(4-carbamothioylphenyl)-N,2-dimethylbenzamide
CID 62969603
methyl N-(4-carbamothioylphenyl)-N-methylcarbamate
CID 62971383
6-chloro-N-(4-chlorophenyl)-N-methylpyridine-3-carboxamide
CID 18419490
N-(3-carbamothioylphenyl)-3,4-dichloro-N-methylbenzamide
CID 62969759
4-chloro-N-methyl-N-[4-(prop-2-enoylamino)phenyl]benzamide
CID 166410939
N-[4-[(3S)-3-amino-4-hydroxybutyl]phenyl]-4-chloro-N-methylbenzamide
CID 67151519
N-[4-(3-amino-4-hydroxybutyl)phenyl]-4-chloro-N-methylbenzamide
CID 67151520
N-(4-carbamothioylphenyl)-2-hydroxy-N,4-dimethylbenzamide
CID 62969444
N-(4-carbamothioylphenyl)-2-ethyl-N-methylbutanamide
CID 62970484
N-(4-carbamothioylphenyl)-N-methylpyrrolidine-1-carboxamide
CID 79162223
N-(3-carbamothioylphenyl)-N-methylbenzamide
CID 62969755

Frequently Asked Questions

What is the IUPAC name of N-(4-carbamothioylphenyl)-4-chloro-N-methylbenzamide?
The IUPAC name of N-(4-carbamothioylphenyl)-4-chloro-N-methylbenzamide (CID 62969966) is N-(4-carbamothioylphenyl)-4-chloro-N-methylbenzamide.
What is the SMILES notation for N-(4-carbamothioylphenyl)-4-chloro-N-methylbenzamide?
The canonical SMILES for N-(4-carbamothioylphenyl)-4-chloro-N-methylbenzamide is CN(C(=O)c1ccc(Cl)cc1)c1ccc(C(N)=S)cc1.
What is the InChIKey of N-(4-carbamothioylphenyl)-4-chloro-N-methylbenzamide?
The InChIKey is JBGUPKLYZNBXEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2OS/c1-18(13-8-4-10(5-9-13)14(17)20)15(19)11-2-6-12(16)7-3-11/h2-9H,1H3,(H2,17,20).
What are the key properties of N-(4-carbamothioylphenyl)-4-chloro-N-methylbenzamide?
N-(4-carbamothioylphenyl)-4-chloro-N-methylbenzamide has a molecular weight of 304.80 g/mol, XLogP of 3.25, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-carbamothioylphenyl)-4-chloro-N-methylbenzamide is sourced from PubChem (CID 62969966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).