4-chloro-3,6-difluoro-2-methylbenzamide

C8H6ClF2NO — CID 177366314

IUPAC4-chloro-3,6-difluoro-2-methylbenzamide
SMILESCc1c(F)c(Cl)cc(F)c1C(N)=O
InChIInChI=1S/C8H6ClF2NO/c1-3-6(8(12)13)5(10)2-4(9)7(3)11/h2H,1H3,(H2,12,13)
InChIKeyAGBPJAJYEJJRSU-UHFFFAOYSA-N
MW205.59 g/mol
LogP2.03
Rot. Bonds1

About 4-chloro-3,6-difluoro-2-methylbenzamide

4-chloro-3,6-difluoro-2-methylbenzamide (PubChem CID 177366314) has the molecular formula C8H6ClF2NO and a molecular weight of 205.59 g/mol. Its IUPAC name is 4-chloro-3,6-difluoro-2-methylbenzamide.

Molecular Properties

Compound Name4-chloro-3,6-difluoro-2-methylbenzamide
PubChem CID177366314
Molecular FormulaC8H6ClF2NO
Molecular Weight205.59 g/mol
Exact Mass205.01
IUPAC Name4-chloro-3,6-difluoro-2-methylbenzamide
SMILESCc1c(F)c(Cl)cc(F)c1C(N)=O
InChIInChI=1S/C8H6ClF2NO/c1-3-6(8(12)13)5(10)2-4(9)7(3)11/h2H,1H3,(H2,12,13)
InChIKeyAGBPJAJYEJJRSU-UHFFFAOYSA-N
XLogP2.03
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.59
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-2,6-difluorobenzamide
CID 22478130
ethyl 4-chloro-2,3,6-trifluorobenzoate
CID 134643432
1-(3-chloro-2,5,6-trifluorophenyl)ethanone
CID 117298061
4-chloro-2-fluoro-3-methylbenzamide
CID 83385455
ethyl 3-chloro-2,5,6-trifluorobenzoate
CID 134644179
2,4-dichloro-3,6-difluorobenzoic acid
CID 142663367
2,3,5-trifluorobenzene-1,4-dicarboxamide
CID 87161201
4-bromo-2-fluoro-6-methylbenzamide
CID 59473773
1-(5-chloro-4-fluoro-2-hydroxy-3-methylphenyl)ethanone
CID 89425768
3,4,5-trifluoro-2-methylbenzamide
CID 87559978
1-(3-chloro-6-fluoro-2-methylphenyl)ethanone
CID 84770201
2-(5-chloro-3-fluoro-2-hydroxy-6-methylphenyl)-2-oxoacetic acid
CID 117337074

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3,6-difluoro-2-methylbenzamide?
The IUPAC name of 4-chloro-3,6-difluoro-2-methylbenzamide (CID 177366314) is 4-chloro-3,6-difluoro-2-methylbenzamide.
What is the SMILES notation for 4-chloro-3,6-difluoro-2-methylbenzamide?
The canonical SMILES for 4-chloro-3,6-difluoro-2-methylbenzamide is Cc1c(F)c(Cl)cc(F)c1C(N)=O.
What is the InChIKey of 4-chloro-3,6-difluoro-2-methylbenzamide?
The InChIKey is AGBPJAJYEJJRSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClF2NO/c1-3-6(8(12)13)5(10)2-4(9)7(3)11/h2H,1H3,(H2,12,13).
What are the key properties of 4-chloro-3,6-difluoro-2-methylbenzamide?
4-chloro-3,6-difluoro-2-methylbenzamide has a molecular weight of 205.59 g/mol, XLogP of 2.03, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3,6-difluoro-2-methylbenzamide is sourced from PubChem (CID 177366314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).