N-(5-carbamothioyl-2-methylphenyl)-2-fluoro-5-methylbenzamide

C16H15FN2OS — CID 62515366

IUPACN-(5-carbamothioyl-2-methylphenyl)-2-fluoro-5-methylbenzamide
SMILESCc1ccc(F)c(C(=O)Nc2cc(C(N)=S)ccc2C)c1
InChIInChI=1S/C16H15FN2OS/c1-9-3-6-13(17)12(7-9)16(20)19-14-8-11(15(18)21)5-4-10(14)2/h3-8H,1-2H3,(H2,18,21)(H,19,20)
InChIKeyUUVXIZKSCPAIPW-UHFFFAOYSA-N
MW302.37 g/mol
LogP3.33
Rot. Bonds3

About N-(5-carbamothioyl-2-methylphenyl)-2-fluoro-5-methylbenzamide

N-(5-carbamothioyl-2-methylphenyl)-2-fluoro-5-methylbenzamide (PubChem CID 62515366) has the molecular formula C16H15FN2OS and a molecular weight of 302.37 g/mol. Its IUPAC name is N-(5-carbamothioyl-2-methylphenyl)-2-fluoro-5-methylbenzamide.

Molecular Properties

Compound NameN-(5-carbamothioyl-2-methylphenyl)-2-fluoro-5-methylbenzamide
PubChem CID62515366
Molecular FormulaC16H15FN2OS
Molecular Weight302.37 g/mol
Exact Mass302.09
IUPAC NameN-(5-carbamothioyl-2-methylphenyl)-2-fluoro-5-methylbenzamide
SMILESCc1ccc(F)c(C(=O)Nc2cc(C(N)=S)ccc2C)c1
InChIInChI=1S/C16H15FN2OS/c1-9-3-6-13(17)12(7-9)16(20)19-14-8-11(15(18)21)5-4-10(14)2/h3-8H,1-2H3,(H2,18,21)(H,19,20)
InChIKeyUUVXIZKSCPAIPW-UHFFFAOYSA-N
XLogP3.33
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 53.33
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-[(2-fluoro-5-methylbenzoyl)amino]-4-methylbenzoic acid
CID 62514248
N-(5-carbamothioyl-2-methylphenyl)-2-fluoro-4-hydroxybenzamide
CID 107676026
N-(5-carbamothioyl-2-methylphenyl)-2-methylbenzamide
CID 62103338
N-(5-carbamothioyl-2-methylphenyl)-4-methylthiophene-3-carboxamide
CID 79802377
N-(5-carbamothioyl-2-methylphenyl)-2,3-dimethylbenzamide
CID 62105375
N-(5-carbamothioyl-2-methylphenyl)-2-fluoro-6-hydroxybenzamide
CID 107014898
N-(4-bromo-2-carbamothioylphenyl)-2-fluoro-5-methylbenzamide
CID 82695396
(5-carbamothioyl-2-methylphenyl)urea
CID 62104099
N-(5-carbamothioyl-2-methylphenyl)-2,3-dihydroxybenzamide
CID 114343622
2-[(2-fluoro-5-methylbenzoyl)amino]-5-methylbenzoic acid
CID 62515827
2-fluoro-N-(4-iodo-2-methylphenyl)-5-methylbenzamide
CID 55083380
1-(5-carbamothioyl-2-methylphenyl)-3-(4-chlorophenyl)urea
CID 62103362

Frequently Asked Questions

What is the IUPAC name of N-(5-carbamothioyl-2-methylphenyl)-2-fluoro-5-methylbenzamide?
The IUPAC name of N-(5-carbamothioyl-2-methylphenyl)-2-fluoro-5-methylbenzamide (CID 62515366) is N-(5-carbamothioyl-2-methylphenyl)-2-fluoro-5-methylbenzamide.
What is the SMILES notation for N-(5-carbamothioyl-2-methylphenyl)-2-fluoro-5-methylbenzamide?
The canonical SMILES for N-(5-carbamothioyl-2-methylphenyl)-2-fluoro-5-methylbenzamide is Cc1ccc(F)c(C(=O)Nc2cc(C(N)=S)ccc2C)c1.
What is the InChIKey of N-(5-carbamothioyl-2-methylphenyl)-2-fluoro-5-methylbenzamide?
The InChIKey is UUVXIZKSCPAIPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN2OS/c1-9-3-6-13(17)12(7-9)16(20)19-14-8-11(15(18)21)5-4-10(14)2/h3-8H,1-2H3,(H2,18,21)(H,19,20).
What are the key properties of N-(5-carbamothioyl-2-methylphenyl)-2-fluoro-5-methylbenzamide?
N-(5-carbamothioyl-2-methylphenyl)-2-fluoro-5-methylbenzamide has a molecular weight of 302.37 g/mol, XLogP of 3.33, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-carbamothioyl-2-methylphenyl)-2-fluoro-5-methylbenzamide is sourced from PubChem (CID 62515366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).