N-[3-fluoro-4-[(R)-methylsulfinyl]phenyl]-2,3-dimethylbenzamide

C16H16FNO2S — CID 124607453

IUPACN-[3-fluoro-4-[(R)-methylsulfinyl]phenyl]-2,3-dimethylbenzamide
SMILESCc1cccc(C(=O)Nc2ccc([S@@](C)=O)c(F)c2)c1C
InChIInChI=1S/C16H16FNO2S/c1-10-5-4-6-13(11(10)2)16(19)18-12-7-8-15(21(3)20)14(17)9-12/h4-9H,1-3H3,(H,18,19)/t21-/m1/s1
InChIKeyXITGHEOJMKTFAE-OAQYLSRUSA-N
MW305.37 g/mol
LogP3.43
Rot. Bonds3

About N-[3-fluoro-4-[(R)-methylsulfinyl]phenyl]-2,3-dimethylbenzamide

N-[3-fluoro-4-[(R)-methylsulfinyl]phenyl]-2,3-dimethylbenzamide (PubChem CID 124607453) has the molecular formula C16H16FNO2S and a molecular weight of 305.37 g/mol. Its IUPAC name is N-[3-fluoro-4-[(R)-methylsulfinyl]phenyl]-2,3-dimethylbenzamide.

Molecular Properties

Compound NameN-[3-fluoro-4-[(R)-methylsulfinyl]phenyl]-2,3-dimethylbenzamide
PubChem CID124607453
Molecular FormulaC16H16FNO2S
Molecular Weight305.37 g/mol
Exact Mass305.09
IUPAC NameN-[3-fluoro-4-[(R)-methylsulfinyl]phenyl]-2,3-dimethylbenzamide
SMILESCc1cccc(C(=O)Nc2ccc([S@@](C)=O)c(F)c2)c1C
InChIInChI=1S/C16H16FNO2S/c1-10-5-4-6-13(11(10)2)16(19)18-12-7-8-15(21(3)20)14(17)9-12/h4-9H,1-3H3,(H,18,19)/t21-/m1/s1
InChIKeyXITGHEOJMKTFAE-OAQYLSRUSA-N
XLogP3.43
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.37
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[3-fluoro-4-[(R)-methylsulfinyl]phenyl]-2,3-dimethylbenzamide 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

N-(3,4-dimethylphenyl)-2,3-dimethylbenzamide
CID 26593883
2-fluoro-N-(3-fluoro-4-methylphenyl)-3-methylbenzamide
CID 80718596
N-(3-aminophenyl)-2,3-dimethylbenzamide
CID 16789314
N-(3-fluoro-4-methylsulfinylphenyl)propanamide
CID 154749149
2,3-dimethyl-N-pyridin-4-ylbenzamide
CID 27700072
3-amino-N-(4-fluoro-3-methylphenyl)-2-methylbenzamide
CID 62811033
N-(4-amino-3-chlorophenyl)-2,3-dimethylbenzamide
CID 82861424
2-fluoro-4-[(3-hydroxy-2-methylbenzoyl)amino]benzoic acid
CID 107793042
2-fluoro-4-[(2-hydroxy-3-methylbenzoyl)amino]benzoic acid
CID 103867338
3-chloro-N-(3-fluoro-4-hydroxyphenyl)-2-methylbenzamide
CID 107097222
N-(3-chloro-4-fluorophenyl)-2-fluoro-3-methylbenzamide
CID 80719146
N-(4-chloro-3-fluorophenyl)-2-iodo-3-methylbenzamide
CID 47227866

Frequently Asked Questions

What is the IUPAC name of N-[3-fluoro-4-[(R)-methylsulfinyl]phenyl]-2,3-dimethylbenzamide?
The IUPAC name of N-[3-fluoro-4-[(R)-methylsulfinyl]phenyl]-2,3-dimethylbenzamide (CID 124607453) is N-[3-fluoro-4-[(R)-methylsulfinyl]phenyl]-2,3-dimethylbenzamide.
What is the SMILES notation for N-[3-fluoro-4-[(R)-methylsulfinyl]phenyl]-2,3-dimethylbenzamide?
The canonical SMILES for N-[3-fluoro-4-[(R)-methylsulfinyl]phenyl]-2,3-dimethylbenzamide is Cc1cccc(C(=O)Nc2ccc([S@@](C)=O)c(F)c2)c1C.
What is the InChIKey of N-[3-fluoro-4-[(R)-methylsulfinyl]phenyl]-2,3-dimethylbenzamide?
The InChIKey is XITGHEOJMKTFAE-OAQYLSRUSA-N. The full InChI is InChI=1S/C16H16FNO2S/c1-10-5-4-6-13(11(10)2)16(19)18-12-7-8-15(21(3)20)14(17)9-12/h4-9H,1-3H3,(H,18,19)/t21-/m1/s1.
What are the key properties of N-[3-fluoro-4-[(R)-methylsulfinyl]phenyl]-2,3-dimethylbenzamide?
N-[3-fluoro-4-[(R)-methylsulfinyl]phenyl]-2,3-dimethylbenzamide has a molecular weight of 305.37 g/mol, XLogP of 3.43, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-fluoro-4-[(R)-methylsulfinyl]phenyl]-2,3-dimethylbenzamide is sourced from PubChem (CID 124607453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).