2-chloro-6-fluoro-N-[(4-naphthalen-1-ylsulfanylphenyl)carbamoyl]benzamide

C24H16ClFN2O2S — CID 57245040

IUPAC2-chloro-6-fluoro-N-[(4-naphthalen-1-ylsulfanylphenyl)carbamoyl]benzamide
SMILESO=C(NC(=O)c1c(F)cccc1Cl)Nc1ccc(Sc2cccc3ccccc23)cc1
InChIInChI=1S/C24H16ClFN2O2S/c25-19-8-4-9-20(26)22(19)23(29)28-24(30)27-16-11-13-17(14-12-16)31-21-10-3-6-15-5-1-2-7-18(15)21/h1-14H,(H2,27,28,29,30)
InChIKeyREBXIFFSLJSCMQ-UHFFFAOYSA-N
MW450.92 g/mol
LogP6.75
Rot. Bonds4

About 2-chloro-6-fluoro-N-[(4-naphthalen-1-ylsulfanylphenyl)carbamoyl]benzamide

2-chloro-6-fluoro-N-[(4-naphthalen-1-ylsulfanylphenyl)carbamoyl]benzamide (PubChem CID 57245040) has the molecular formula C24H16ClFN2O2S and a molecular weight of 450.92 g/mol. Its IUPAC name is 2-chloro-6-fluoro-N-[(4-naphthalen-1-ylsulfanylphenyl)carbamoyl]benzamide.

Molecular Properties

Compound Name2-chloro-6-fluoro-N-[(4-naphthalen-1-ylsulfanylphenyl)carbamoyl]benzamide
PubChem CID57245040
Molecular FormulaC24H16ClFN2O2S
Molecular Weight450.92 g/mol
Exact Mass450.06
IUPAC Name2-chloro-6-fluoro-N-[(4-naphthalen-1-ylsulfanylphenyl)carbamoyl]benzamide
SMILESO=C(NC(=O)c1c(F)cccc1Cl)Nc1ccc(Sc2cccc3ccccc23)cc1
InChIInChI=1S/C24H16ClFN2O2S/c25-19-8-4-9-20(26)22(19)23(29)28-24(30)27-16-11-13-17(14-12-16)31-21-10-3-6-15-5-1-2-7-18(15)21/h1-14H,(H2,27,28,29,30)
InChIKeyREBXIFFSLJSCMQ-UHFFFAOYSA-N
XLogP6.75
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.92
LogP ≤ 56.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,6-dichloro-N-[(4-naphthalen-1-yloxyphenyl)carbamoyl]benzamide
CID 23455386
N-[[6-(4-chlorophenyl)sulfanyl-3-pyridinyl]carbamoyl]-2,6-difluorobenzamide
CID 12912845
N-[[4-[(2-chlorophenoxy)methyl]phenyl]carbamoyl]-2,6-difluorobenzamide
CID 70577810
N-[(4-chloro-3-methylphenyl)carbamoyl]-2,6-difluorobenzamide
CID 23276006
2-chloro-6-fluoro-N-[(2-iodophenyl)carbamoyl]benzamide
CID 4052856
1-[[2-chloro-6-(4-chlorophenyl)sulfanylphenyl]methyl]-3-(4-fluorophenyl)urea
CID 2812307
N-[4-(aminomethyl)phenyl]-2-chloro-6-fluorobenzamide
CID 28754405
N-[(3-chloro-4-methylphenyl)carbamoyl]-2,6-difluorobenzamide
CID 23276007
2-chloro-N-[[3-chloro-4-[(2,2-dichlorocyclopropyl)methoxy]phenyl]carbamoyl]-6-fluorobenzamide
CID 23454911
2-chloro-6-fluoro-N-(1,2,2-trichloroethenylcarbamoyl)benzamide
CID 2780073
N-[[4-(difluoromethoxy)phenyl]carbamoyl]-2,6-difluorobenzamide
CID 134110234
N-[(3,5-dichloro-4-methoxyphenyl)carbamoyl]-2,6-difluorobenzamide
CID 54288472

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-fluoro-N-[(4-naphthalen-1-ylsulfanylphenyl)carbamoyl]benzamide?
The IUPAC name of 2-chloro-6-fluoro-N-[(4-naphthalen-1-ylsulfanylphenyl)carbamoyl]benzamide (CID 57245040) is 2-chloro-6-fluoro-N-[(4-naphthalen-1-ylsulfanylphenyl)carbamoyl]benzamide.
What is the SMILES notation for 2-chloro-6-fluoro-N-[(4-naphthalen-1-ylsulfanylphenyl)carbamoyl]benzamide?
The canonical SMILES for 2-chloro-6-fluoro-N-[(4-naphthalen-1-ylsulfanylphenyl)carbamoyl]benzamide is O=C(NC(=O)c1c(F)cccc1Cl)Nc1ccc(Sc2cccc3ccccc23)cc1.
What is the InChIKey of 2-chloro-6-fluoro-N-[(4-naphthalen-1-ylsulfanylphenyl)carbamoyl]benzamide?
The InChIKey is REBXIFFSLJSCMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16ClFN2O2S/c25-19-8-4-9-20(26)22(19)23(29)28-24(30)27-16-11-13-17(14-12-16)31-21-10-3-6-15-5-1-2-7-18(15)21/h1-14H,(H2,27,28,29,30).
What are the key properties of 2-chloro-6-fluoro-N-[(4-naphthalen-1-ylsulfanylphenyl)carbamoyl]benzamide?
2-chloro-6-fluoro-N-[(4-naphthalen-1-ylsulfanylphenyl)carbamoyl]benzamide has a molecular weight of 450.92 g/mol, XLogP of 6.75, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-fluoro-N-[(4-naphthalen-1-ylsulfanylphenyl)carbamoyl]benzamide is sourced from PubChem (CID 57245040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).