5-chloro-2-fluoro-N-(3-methyloxan-3-yl)benzamide

C13H15ClFNO2 — CID 113347966

IUPAC5-chloro-2-fluoro-N-(3-methyloxan-3-yl)benzamide
SMILESCC1(NC(=O)c2cc(Cl)ccc2F)CCCOC1
InChIInChI=1S/C13H15ClFNO2/c1-13(5-2-6-18-8-13)16-12(17)10-7-9(14)3-4-11(10)15/h3-4,7H,2,5-6,8H2,1H3,(H,16,17)
InChIKeyNBCWHWKKDAABQR-UHFFFAOYSA-N
MW271.72 g/mol
LogP2.78
Rot. Bonds2

About 5-chloro-2-fluoro-N-(3-methyloxan-3-yl)benzamide

5-chloro-2-fluoro-N-(3-methyloxan-3-yl)benzamide (PubChem CID 113347966) has the molecular formula C13H15ClFNO2 and a molecular weight of 271.72 g/mol. Its IUPAC name is 5-chloro-2-fluoro-N-(3-methyloxan-3-yl)benzamide.

Molecular Properties

Compound Name5-chloro-2-fluoro-N-(3-methyloxan-3-yl)benzamide
PubChem CID113347966
Molecular FormulaC13H15ClFNO2
Molecular Weight271.72 g/mol
Exact Mass271.08
IUPAC Name5-chloro-2-fluoro-N-(3-methyloxan-3-yl)benzamide
SMILESCC1(NC(=O)c2cc(Cl)ccc2F)CCCOC1
InChIInChI=1S/C13H15ClFNO2/c1-13(5-2-6-18-8-13)16-12(17)10-7-9(14)3-4-11(10)15/h3-4,7H,2,5-6,8H2,1H3,(H,16,17)
InChIKeyNBCWHWKKDAABQR-UHFFFAOYSA-N
XLogP2.78
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.72
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-chloro-2-fluoro-N-(3-methyloxolan-3-yl)benzamide
CID 115769264
2-chloro-4,5-difluoro-N-(3-methyloxan-3-yl)benzamide
CID 122159233
2-chloro-N-(3-methyloxan-3-yl)furan-3-carboxamide
CID 106812547
3-fluoro-N-(3-methyloxan-3-yl)pyridine-4-carboxamide
CID 103897058
2-bromo-4-fluoro-N-(3-methyloxan-3-yl)benzamide
CID 103899264
2-fluoro-N-(3-methyloxolan-3-yl)benzamide
CID 115769256
2,6-dichloro-N-(3-methyloxan-3-yl)pyridine-3-carboxamide
CID 114113552
2-fluoro-4-hydroxy-N-(3-methyloxolan-3-yl)benzamide
CID 104929999
4-amino-2-methyl-N-(3-methyloxan-3-yl)benzamide
CID 114113473
4-[(3-methyloxan-3-yl)carbamoyl]benzoic acid
CID 114114464
4-[(5-chloro-2-fluorobenzoyl)amino]oxane-4-carboxylic acid
CID 115291662
2-chloro-5-hydroxy-N-(3-methyloxolan-3-yl)benzamide
CID 106502165

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-fluoro-N-(3-methyloxan-3-yl)benzamide?
The IUPAC name of 5-chloro-2-fluoro-N-(3-methyloxan-3-yl)benzamide (CID 113347966) is 5-chloro-2-fluoro-N-(3-methyloxan-3-yl)benzamide.
What is the SMILES notation for 5-chloro-2-fluoro-N-(3-methyloxan-3-yl)benzamide?
The canonical SMILES for 5-chloro-2-fluoro-N-(3-methyloxan-3-yl)benzamide is CC1(NC(=O)c2cc(Cl)ccc2F)CCCOC1.
What is the InChIKey of 5-chloro-2-fluoro-N-(3-methyloxan-3-yl)benzamide?
The InChIKey is NBCWHWKKDAABQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClFNO2/c1-13(5-2-6-18-8-13)16-12(17)10-7-9(14)3-4-11(10)15/h3-4,7H,2,5-6,8H2,1H3,(H,16,17).
What are the key properties of 5-chloro-2-fluoro-N-(3-methyloxan-3-yl)benzamide?
5-chloro-2-fluoro-N-(3-methyloxan-3-yl)benzamide has a molecular weight of 271.72 g/mol, XLogP of 2.78, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-fluoro-N-(3-methyloxan-3-yl)benzamide is sourced from PubChem (CID 113347966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).