N-[[5-(2,4-dichlorophenyl)-4-methylthiophen-2-yl]carbamoyl]-2,6-difluorobenzamide

C19H12Cl2F2N2O2S — CID 14600655

IUPACN-[[5-(2,4-dichlorophenyl)-4-methylthiophen-2-yl]carbamoyl]-2,6-difluorobenzamide
SMILESCc1cc(NC(=O)NC(=O)c2c(F)cccc2F)sc1-c1ccc(Cl)cc1Cl
InChIInChI=1S/C19H12Cl2F2N2O2S/c1-9-7-15(28-17(9)11-6-5-10(20)8-12(11)21)24-19(27)25-18(26)16-13(22)3-2-4-14(16)23/h2-8H,1H3,(H2,24,25,26,27)
InChIKeyKKOBNZFDSIWBHU-UHFFFAOYSA-N
MW441.29 g/mol
LogP6.27
Rot. Bonds3

About N-[[5-(2,4-dichlorophenyl)-4-methylthiophen-2-yl]carbamoyl]-2,6-difluorobenzamide

N-[[5-(2,4-dichlorophenyl)-4-methylthiophen-2-yl]carbamoyl]-2,6-difluorobenzamide (PubChem CID 14600655) has the molecular formula C19H12Cl2F2N2O2S and a molecular weight of 441.29 g/mol. Its IUPAC name is N-[[5-(2,4-dichlorophenyl)-4-methylthiophen-2-yl]carbamoyl]-2,6-difluorobenzamide.

Molecular Properties

Compound NameN-[[5-(2,4-dichlorophenyl)-4-methylthiophen-2-yl]carbamoyl]-2,6-difluorobenzamide
PubChem CID14600655
Molecular FormulaC19H12Cl2F2N2O2S
Molecular Weight441.29 g/mol
Exact Mass440.00
IUPAC NameN-[[5-(2,4-dichlorophenyl)-4-methylthiophen-2-yl]carbamoyl]-2,6-difluorobenzamide
SMILESCc1cc(NC(=O)NC(=O)c2c(F)cccc2F)sc1-c1ccc(Cl)cc1Cl
InChIInChI=1S/C19H12Cl2F2N2O2S/c1-9-7-15(28-17(9)11-6-5-10(20)8-12(11)21)24-19(27)25-18(26)16-13(22)3-2-4-14(16)23/h2-8H,1H3,(H2,24,25,26,27)
InChIKeyKKOBNZFDSIWBHU-UHFFFAOYSA-N
XLogP6.27
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.29
LogP ≤ 56.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[5-(2,4-dichlorophenyl)-1,3,4-thiadiazol-2-yl]carbamoyl]-2,6-difluorobenzamide
CID 91183107
N-[(4-chloro-3-methylphenyl)carbamoyl]-2,6-difluorobenzamide
CID 23276006
N-[(3-chloro-4-methylphenyl)carbamoyl]-2,6-difluorobenzamide
CID 23276007
N-[(3,5-dichloro-4-methoxyphenyl)carbamoyl]-2,6-difluorobenzamide
CID 54288472
methyl 2-(2,4-dichlorophenyl)-6-fluorobenzoate
CID 119010018
N-[(5-chloro-1,3-benzothiazol-2-yl)carbamoyl]-2,6-difluorobenzamide
CID 19935023
N-[[3-chloro-4-[(3,5-dichloro-2-pyridinyl)oxy]-2,5-dimethylphenyl]carbamoyl]-2,6-difluorobenzamide
CID 19072643
N-(5-chloro-2-hydroxybenzoyl)-2,6-difluorobenzamide
CID 10244966
N-[[4-(3,4-dichlorophenyl)-3-methoxyphenyl]carbamoyl]-2,6-difluorobenzamide
CID 134117338
2-(2,4-dichlorophenyl)-6-fluorobenzoyl chloride
CID 119006979
2-chloro-N-[[5-(4-chlorophenyl)-6-methyl-2-pyridinyl]carbamoyl]-6-fluorobenzamide
CID 13242696
N-[[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]carbamoyl]-2,6-difluorobenzamide
CID 134095579

Frequently Asked Questions

What is the IUPAC name of N-[[5-(2,4-dichlorophenyl)-4-methylthiophen-2-yl]carbamoyl]-2,6-difluorobenzamide?
The IUPAC name of N-[[5-(2,4-dichlorophenyl)-4-methylthiophen-2-yl]carbamoyl]-2,6-difluorobenzamide (CID 14600655) is N-[[5-(2,4-dichlorophenyl)-4-methylthiophen-2-yl]carbamoyl]-2,6-difluorobenzamide.
What is the SMILES notation for N-[[5-(2,4-dichlorophenyl)-4-methylthiophen-2-yl]carbamoyl]-2,6-difluorobenzamide?
The canonical SMILES for N-[[5-(2,4-dichlorophenyl)-4-methylthiophen-2-yl]carbamoyl]-2,6-difluorobenzamide is Cc1cc(NC(=O)NC(=O)c2c(F)cccc2F)sc1-c1ccc(Cl)cc1Cl.
What is the InChIKey of N-[[5-(2,4-dichlorophenyl)-4-methylthiophen-2-yl]carbamoyl]-2,6-difluorobenzamide?
The InChIKey is KKOBNZFDSIWBHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12Cl2F2N2O2S/c1-9-7-15(28-17(9)11-6-5-10(20)8-12(11)21)24-19(27)25-18(26)16-13(22)3-2-4-14(16)23/h2-8H,1H3,(H2,24,25,26,27).
What are the key properties of N-[[5-(2,4-dichlorophenyl)-4-methylthiophen-2-yl]carbamoyl]-2,6-difluorobenzamide?
N-[[5-(2,4-dichlorophenyl)-4-methylthiophen-2-yl]carbamoyl]-2,6-difluorobenzamide has a molecular weight of 441.29 g/mol, XLogP of 6.27, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2,4-dichlorophenyl)-4-methylthiophen-2-yl]carbamoyl]-2,6-difluorobenzamide is sourced from PubChem (CID 14600655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).