N-(1,3-benzothiazol-2-ylmethyl)-2,4-dichloro-5-fluoro-N-methylbenzamide

C16H11Cl2FN2OS — CID 41440557

IUPACN-(1,3-benzothiazol-2-ylmethyl)-2,4-dichloro-5-fluoro-N-methylbenzamide
SMILESCN(Cc1nc2ccccc2s1)C(=O)c1cc(F)c(Cl)cc1Cl
InChIInChI=1S/C16H11Cl2FN2OS/c1-21(8-15-20-13-4-2-3-5-14(13)23-15)16(22)9-6-12(19)11(18)7-10(9)17/h2-7H,8H2,1H3
InChIKeyFSHLRSRCLHIDDP-UHFFFAOYSA-N
MW369.25 g/mol
LogP5.01
Rot. Bonds3

About N-(1,3-benzothiazol-2-ylmethyl)-2,4-dichloro-5-fluoro-N-methylbenzamide

N-(1,3-benzothiazol-2-ylmethyl)-2,4-dichloro-5-fluoro-N-methylbenzamide (PubChem CID 41440557) has the molecular formula C16H11Cl2FN2OS and a molecular weight of 369.25 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-ylmethyl)-2,4-dichloro-5-fluoro-N-methylbenzamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-ylmethyl)-2,4-dichloro-5-fluoro-N-methylbenzamide
PubChem CID41440557
Molecular FormulaC16H11Cl2FN2OS
Molecular Weight369.25 g/mol
Exact Mass368.00
IUPAC NameN-(1,3-benzothiazol-2-ylmethyl)-2,4-dichloro-5-fluoro-N-methylbenzamide
SMILESCN(Cc1nc2ccccc2s1)C(=O)c1cc(F)c(Cl)cc1Cl
InChIInChI=1S/C16H11Cl2FN2OS/c1-21(8-15-20-13-4-2-3-5-14(13)23-15)16(22)9-6-12(19)11(18)7-10(9)17/h2-7H,8H2,1H3
InChIKeyFSHLRSRCLHIDDP-UHFFFAOYSA-N
XLogP5.01
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.25
LogP ≤ 55.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

N-(1,3-benzothiazol-2-ylmethyl)-2,6-difluoro-N-methylbenzamide
CID 16606856
N-(1,3-benzothiazol-2-ylmethyl)-2-chloro-5-(diethylsulfamoyl)-N-methylbenzamide
CID 41440134
N-(1,3-benzothiazol-2-ylmethyl)-2,3,5-trichloro-6-hydroxy-N-methylbenzamide
CID 112820955
N-(1,3-benzothiazol-2-ylmethyl)-2,4-dichloro-5-(cyclopropylsulfamoyl)-N-methylbenzamide
CID 55389438
N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-2-methylsulfanylpyridine-3-carboxamide
CID 18117599
2,4-dichloro-5-fluoro-N-methyl-N-(naphthalen-2-ylmethyl)benzamide
CID 18288270
N-(1,3-benzothiazol-2-ylmethyl)-2-bromo-N-methylpyridine-3-carboxamide
CID 103752006
N-(1,3-benzothiazol-2-ylmethyl)-4-ethyl-N,5-dimethylthiophene-2-carboxamide
CID 9393068
N-[3-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-3-oxopropyl]-2-chlorobenzamide
CID 9372601
N-(1,3-benzothiazol-2-ylmethyl)-4-benzoyl-N-methylbenzamide
CID 18117572
5-acetamido-N-(1,3-benzothiazol-2-ylmethyl)-N-methylthiophene-2-carboxamide
CID 24611300
1-(1,3-benzothiazol-2-ylmethyl)-3-ethyl-1-methylurea
CID 47128028

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-ylmethyl)-2,4-dichloro-5-fluoro-N-methylbenzamide?
The IUPAC name of N-(1,3-benzothiazol-2-ylmethyl)-2,4-dichloro-5-fluoro-N-methylbenzamide (CID 41440557) is N-(1,3-benzothiazol-2-ylmethyl)-2,4-dichloro-5-fluoro-N-methylbenzamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-ylmethyl)-2,4-dichloro-5-fluoro-N-methylbenzamide?
The canonical SMILES for N-(1,3-benzothiazol-2-ylmethyl)-2,4-dichloro-5-fluoro-N-methylbenzamide is CN(Cc1nc2ccccc2s1)C(=O)c1cc(F)c(Cl)cc1Cl.
What is the InChIKey of N-(1,3-benzothiazol-2-ylmethyl)-2,4-dichloro-5-fluoro-N-methylbenzamide?
The InChIKey is FSHLRSRCLHIDDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11Cl2FN2OS/c1-21(8-15-20-13-4-2-3-5-14(13)23-15)16(22)9-6-12(19)11(18)7-10(9)17/h2-7H,8H2,1H3.
What are the key properties of N-(1,3-benzothiazol-2-ylmethyl)-2,4-dichloro-5-fluoro-N-methylbenzamide?
N-(1,3-benzothiazol-2-ylmethyl)-2,4-dichloro-5-fluoro-N-methylbenzamide has a molecular weight of 369.25 g/mol, XLogP of 5.01, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-2-ylmethyl)-2,4-dichloro-5-fluoro-N-methylbenzamide is sourced from PubChem (CID 41440557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).