2-chloro-5-fluoro-N,4-dimethylbenzamide

C9H9ClFNO — CID 116827653

IUPAC2-chloro-5-fluoro-N,4-dimethylbenzamide
SMILESCNC(=O)c1cc(F)c(C)cc1Cl
InChIInChI=1S/C9H9ClFNO/c1-5-3-7(10)6(4-8(5)11)9(13)12-2/h3-4H,1-2H3,(H,12,13)
InChIKeyNSGLLPSBRQXLTB-UHFFFAOYSA-N
MW201.63 g/mol
LogP2.15
Rot. Bonds1

About 2-chloro-5-fluoro-N,4-dimethylbenzamide

2-chloro-5-fluoro-N,4-dimethylbenzamide (PubChem CID 116827653) has the molecular formula C9H9ClFNO and a molecular weight of 201.63 g/mol. Its IUPAC name is 2-chloro-5-fluoro-N,4-dimethylbenzamide.

Molecular Properties

Compound Name2-chloro-5-fluoro-N,4-dimethylbenzamide
PubChem CID116827653
Molecular FormulaC9H9ClFNO
Molecular Weight201.63 g/mol
Exact Mass201.04
IUPAC Name2-chloro-5-fluoro-N,4-dimethylbenzamide
SMILESCNC(=O)c1cc(F)c(C)cc1Cl
InChIInChI=1S/C9H9ClFNO/c1-5-3-7(10)6(4-8(5)11)9(13)12-2/h3-4H,1-2H3,(H,12,13)
InChIKeyNSGLLPSBRQXLTB-UHFFFAOYSA-N
XLogP2.15
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.63
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-chloro-5-fluoro-N-(2-hydroxyethyl)-4-methylbenzamide
CID 117044379
2-chloro-5-fluoro-N-(3-hydroxypropyl)-4-methylbenzamide
CID 117044380
4-[(2-chloro-5-fluoro-4-methylbenzoyl)amino]benzoic acid
CID 117044904
1-(2-chloro-5-fluoro-4-methylphenyl)-2-hydroxy-2-methylpropan-1-one
CID 116920451
N-(3-aminobutyl)-2-chloro-5-fluoro-4-methylbenzamide
CID 117044369
1-(2-chloro-5-fluoro-4-methylphenyl)-2-hydroxy-3-(methylamino)propan-1-one
CID 116826851
N-[4-(aminomethyl)phenyl]-2-chloro-5-fluoro-4-methylbenzamide
CID 117044896
N-(2-aminoethyl)-2-chloro-4-fluoro-5-methylbenzamide
CID 119382876
methyl 4-(2-chloro-5-fluoro-4-methylphenyl)-4-oxobutanoate
CID 116919205
4-amino-1-(2-chloro-5-fluoro-4-methylphenyl)-2,2-dimethylbutan-1-one
CID 116916425
2-chloro-5-fluoro-N,4-dimethyl-N-(2-oxopropyl)benzamide
CID 117045039
2-(2-chloro-5-fluoro-4-methylbenzoyl)butanenitrile
CID 116923760

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-fluoro-N,4-dimethylbenzamide?
The IUPAC name of 2-chloro-5-fluoro-N,4-dimethylbenzamide (CID 116827653) is 2-chloro-5-fluoro-N,4-dimethylbenzamide.
What is the SMILES notation for 2-chloro-5-fluoro-N,4-dimethylbenzamide?
The canonical SMILES for 2-chloro-5-fluoro-N,4-dimethylbenzamide is CNC(=O)c1cc(F)c(C)cc1Cl.
What is the InChIKey of 2-chloro-5-fluoro-N,4-dimethylbenzamide?
The InChIKey is NSGLLPSBRQXLTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClFNO/c1-5-3-7(10)6(4-8(5)11)9(13)12-2/h3-4H,1-2H3,(H,12,13).
What are the key properties of 2-chloro-5-fluoro-N,4-dimethylbenzamide?
2-chloro-5-fluoro-N,4-dimethylbenzamide has a molecular weight of 201.63 g/mol, XLogP of 2.15, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-fluoro-N,4-dimethylbenzamide is sourced from PubChem (CID 116827653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).