3-chloro-2,4-difluoro-N-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzamide

C13H11ClF2N2OS — CID 86783345

IUPAC3-chloro-2,4-difluoro-N-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzamide
SMILESCc1csc(CN(C)C(=O)c2ccc(F)c(Cl)c2F)n1
InChIInChI=1S/C13H11ClF2N2OS/c1-7-6-20-10(17-7)5-18(2)13(19)8-3-4-9(15)11(14)12(8)16/h3-4,6H,5H2,1-2H3
InChIKeyCJQLQPPIDXHYHS-UHFFFAOYSA-N
MW316.76 g/mol
LogP3.66
Rot. Bonds3

About 3-chloro-2,4-difluoro-N-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzamide

3-chloro-2,4-difluoro-N-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzamide (PubChem CID 86783345) has the molecular formula C13H11ClF2N2OS and a molecular weight of 316.76 g/mol. Its IUPAC name is 3-chloro-2,4-difluoro-N-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzamide.

Molecular Properties

Compound Name3-chloro-2,4-difluoro-N-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzamide
PubChem CID86783345
Molecular FormulaC13H11ClF2N2OS
Molecular Weight316.76 g/mol
Exact Mass316.02
IUPAC Name3-chloro-2,4-difluoro-N-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzamide
SMILESCc1csc(CN(C)C(=O)c2ccc(F)c(Cl)c2F)n1
InChIInChI=1S/C13H11ClF2N2OS/c1-7-6-20-10(17-7)5-18(2)13(19)8-3-4-9(15)11(14)12(8)16/h3-4,6H,5H2,1-2H3
InChIKeyCJQLQPPIDXHYHS-UHFFFAOYSA-N
XLogP3.66
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.76
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

2,4,5-trifluoro-3-hydroxy-N-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzamide
CID 86786064
2-hydroxy-3-[methyl-[(4-methyl-1,3-thiazol-2-yl)methyl]carbamoyl]benzoic acid
CID 59570177
2-methoxy-3-N-methyl-3-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzene-1,3-dicarboxamide
CID 68670318
1-(5-chloro-2-fluorophenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanone
CID 115586851
2-[[(2,4-dichlorobenzoyl)-methylamino]methyl]-N-methyl-1,3-thiazole-4-carboxamide
CID 1196047
3-N-methyl-3-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzene-1,3-dicarboxamide
CID 68608744
2-(2-fluorophenoxy)-N-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]butanamide
CID 71980223
1-(2,5-dichlorophenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanone
CID 60977248
methyl 3-(difluoromethyl)-5-[methyl-[(4-methyl-1,3-thiazol-2-yl)methyl]carbamoyl]benzoate
CID 59570127
4-chloro-N-ethyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]aniline
CID 167934252
1-(3-chloro-4-fluorophenyl)-3-(4-methyl-1,3-thiazol-2-yl)propan-2-one
CID 103039345
2-fluoro-N-methyl-N-(1,3-thiazol-2-ylmethyl)benzamide
CID 110715660

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2,4-difluoro-N-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzamide?
The IUPAC name of 3-chloro-2,4-difluoro-N-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzamide (CID 86783345) is 3-chloro-2,4-difluoro-N-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzamide.
What is the SMILES notation for 3-chloro-2,4-difluoro-N-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzamide?
The canonical SMILES for 3-chloro-2,4-difluoro-N-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzamide is Cc1csc(CN(C)C(=O)c2ccc(F)c(Cl)c2F)n1.
What is the InChIKey of 3-chloro-2,4-difluoro-N-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzamide?
The InChIKey is CJQLQPPIDXHYHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClF2N2OS/c1-7-6-20-10(17-7)5-18(2)13(19)8-3-4-9(15)11(14)12(8)16/h3-4,6H,5H2,1-2H3.
What are the key properties of 3-chloro-2,4-difluoro-N-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzamide?
3-chloro-2,4-difluoro-N-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzamide has a molecular weight of 316.76 g/mol, XLogP of 3.66, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2,4-difluoro-N-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzamide is sourced from PubChem (CID 86783345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).