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

C12H13ClFNO2 — CID 115769264

IUPAC5-chloro-2-fluoro-N-(3-methyloxolan-3-yl)benzamide
SMILESCC1(NC(=O)c2cc(Cl)ccc2F)CCOC1
InChIInChI=1S/C12H13ClFNO2/c1-12(4-5-17-7-12)15-11(16)9-6-8(13)2-3-10(9)14/h2-3,6H,4-5,7H2,1H3,(H,15,16)
InChIKeyCGVWWNKDZLPVBD-UHFFFAOYSA-N
MW257.69 g/mol
LogP2.39
Rot. Bonds2

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

5-chloro-2-fluoro-N-(3-methyloxolan-3-yl)benzamide (PubChem CID 115769264) has the molecular formula C12H13ClFNO2 and a molecular weight of 257.69 g/mol. Its IUPAC name is 5-chloro-2-fluoro-N-(3-methyloxolan-3-yl)benzamide.

Molecular Properties

Compound Name5-chloro-2-fluoro-N-(3-methyloxolan-3-yl)benzamide
PubChem CID115769264
Molecular FormulaC12H13ClFNO2
Molecular Weight257.69 g/mol
Exact Mass257.06
IUPAC Name5-chloro-2-fluoro-N-(3-methyloxolan-3-yl)benzamide
SMILESCC1(NC(=O)c2cc(Cl)ccc2F)CCOC1
InChIInChI=1S/C12H13ClFNO2/c1-12(4-5-17-7-12)15-11(16)9-6-8(13)2-3-10(9)14/h2-3,6H,4-5,7H2,1H3,(H,15,16)
InChIKeyCGVWWNKDZLPVBD-UHFFFAOYSA-N
XLogP2.39
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.69
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-chloro-2-fluoro-N-(3-methyloxan-3-yl)benzamide
CID 113347966
2-fluoro-N-(3-methyloxolan-3-yl)benzamide
CID 115769256
2-fluoro-4-hydroxy-N-(3-methyloxolan-3-yl)benzamide
CID 104929999
2-chloro-4,5-difluoro-N-(3-methyloxan-3-yl)benzamide
CID 122159233
4-[(5-chloro-2-fluorobenzoyl)amino]oxane-4-carboxylic acid
CID 115291662
2-chloro-5-hydroxy-N-(3-methyloxolan-3-yl)benzamide
CID 106502165
2,5-difluoro-N-(3-methyloxolan-3-yl)-4-nitrobenzamide
CID 115769248
4-chloro-2-hydroxy-N-(4-methyloxan-4-yl)benzamide
CID 115761034
3-amino-2,5-difluoro-N-(3-methyloxolan-3-yl)benzamide
CID 107121435
2,5-dibromo-N-(3-methyloxolan-3-yl)benzamide
CID 114372910
4-amino-3,5-dichloro-N-(3-methyloxolan-3-yl)benzamide
CID 113343145
3-hydroxy-N-(3-methyloxolan-3-yl)naphthalene-2-carboxamide
CID 115769327

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-fluoro-N-(3-methyloxolan-3-yl)benzamide?
The IUPAC name of 5-chloro-2-fluoro-N-(3-methyloxolan-3-yl)benzamide (CID 115769264) is 5-chloro-2-fluoro-N-(3-methyloxolan-3-yl)benzamide.
What is the SMILES notation for 5-chloro-2-fluoro-N-(3-methyloxolan-3-yl)benzamide?
The canonical SMILES for 5-chloro-2-fluoro-N-(3-methyloxolan-3-yl)benzamide is CC1(NC(=O)c2cc(Cl)ccc2F)CCOC1.
What is the InChIKey of 5-chloro-2-fluoro-N-(3-methyloxolan-3-yl)benzamide?
The InChIKey is CGVWWNKDZLPVBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClFNO2/c1-12(4-5-17-7-12)15-11(16)9-6-8(13)2-3-10(9)14/h2-3,6H,4-5,7H2,1H3,(H,15,16).
What are the key properties of 5-chloro-2-fluoro-N-(3-methyloxolan-3-yl)benzamide?
5-chloro-2-fluoro-N-(3-methyloxolan-3-yl)benzamide has a molecular weight of 257.69 g/mol, XLogP of 2.39, 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-methyloxolan-3-yl)benzamide is sourced from PubChem (CID 115769264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).