2-chloro-4,5-difluoro-N-(3-methyloxan-3-yl)benzamide

C13H14ClF2NO2 — CID 122159233

IUPAC2-chloro-4,5-difluoro-N-(3-methyloxan-3-yl)benzamide
SMILESCC1(NC(=O)c2cc(F)c(F)cc2Cl)CCCOC1
InChIInChI=1S/C13H14ClF2NO2/c1-13(3-2-4-19-7-13)17-12(18)8-5-10(15)11(16)6-9(8)14/h5-6H,2-4,7H2,1H3,(H,17,18)
InChIKeyRACJSCYTJLTBAD-UHFFFAOYSA-N
MW289.71 g/mol
LogP2.92
Rot. Bonds2

About 2-chloro-4,5-difluoro-N-(3-methyloxan-3-yl)benzamide

2-chloro-4,5-difluoro-N-(3-methyloxan-3-yl)benzamide (PubChem CID 122159233) has the molecular formula C13H14ClF2NO2 and a molecular weight of 289.71 g/mol. Its IUPAC name is 2-chloro-4,5-difluoro-N-(3-methyloxan-3-yl)benzamide.

Molecular Properties

Compound Name2-chloro-4,5-difluoro-N-(3-methyloxan-3-yl)benzamide
PubChem CID122159233
Molecular FormulaC13H14ClF2NO2
Molecular Weight289.71 g/mol
Exact Mass289.07
IUPAC Name2-chloro-4,5-difluoro-N-(3-methyloxan-3-yl)benzamide
SMILESCC1(NC(=O)c2cc(F)c(F)cc2Cl)CCCOC1
InChIInChI=1S/C13H14ClF2NO2/c1-13(3-2-4-19-7-13)17-12(18)8-5-10(15)11(16)6-9(8)14/h5-6H,2-4,7H2,1H3,(H,17,18)
InChIKeyRACJSCYTJLTBAD-UHFFFAOYSA-N
XLogP2.92
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.71
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-2-fluoro-N-(3-methyloxan-3-yl)benzamide
CID 113347966
2-chloro-N-(3-methyloxan-3-yl)furan-3-carboxamide
CID 106812547
3-fluoro-N-(3-methyloxan-3-yl)pyridine-4-carboxamide
CID 103897058
5-chloro-2-fluoro-N-(3-methyloxolan-3-yl)benzamide
CID 115769264
2-bromo-4-fluoro-N-(3-methyloxan-3-yl)benzamide
CID 103899264
2-chloro-5-hydroxy-N-(3-methyloxolan-3-yl)benzamide
CID 106502165
2,6-dichloro-N-(3-methyloxan-3-yl)pyridine-3-carboxamide
CID 114113552
2-fluoro-N-(3-methyloxolan-3-yl)benzamide
CID 115769256
2-fluoro-4-hydroxy-N-(3-methyloxolan-3-yl)benzamide
CID 104929999
4-amino-2-methyl-N-(3-methyloxan-3-yl)benzamide
CID 114113473
2-chloro-4,5-difluoro-N-[1-(hydroxymethyl)cyclopropyl]benzamide
CID 113337541
4-[(2-chloro-4,5-difluorobenzoyl)amino]oxane-4-carboxylic acid
CID 115291756

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4,5-difluoro-N-(3-methyloxan-3-yl)benzamide?
The IUPAC name of 2-chloro-4,5-difluoro-N-(3-methyloxan-3-yl)benzamide (CID 122159233) is 2-chloro-4,5-difluoro-N-(3-methyloxan-3-yl)benzamide.
What is the SMILES notation for 2-chloro-4,5-difluoro-N-(3-methyloxan-3-yl)benzamide?
The canonical SMILES for 2-chloro-4,5-difluoro-N-(3-methyloxan-3-yl)benzamide is CC1(NC(=O)c2cc(F)c(F)cc2Cl)CCCOC1.
What is the InChIKey of 2-chloro-4,5-difluoro-N-(3-methyloxan-3-yl)benzamide?
The InChIKey is RACJSCYTJLTBAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClF2NO2/c1-13(3-2-4-19-7-13)17-12(18)8-5-10(15)11(16)6-9(8)14/h5-6H,2-4,7H2,1H3,(H,17,18).
What are the key properties of 2-chloro-4,5-difluoro-N-(3-methyloxan-3-yl)benzamide?
2-chloro-4,5-difluoro-N-(3-methyloxan-3-yl)benzamide has a molecular weight of 289.71 g/mol, XLogP of 2.92, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4,5-difluoro-N-(3-methyloxan-3-yl)benzamide is sourced from PubChem (CID 122159233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).