4-fluoro-N,2-dimethyl-N-(2-methyloxolan-3-yl)benzamide

C14H18FNO2 — CID 113399934

IUPAC4-fluoro-N,2-dimethyl-N-(2-methyloxolan-3-yl)benzamide
SMILESCc1cc(F)ccc1C(=O)N(C)C1CCOC1C
InChIInChI=1S/C14H18FNO2/c1-9-8-11(15)4-5-12(9)14(17)16(3)13-6-7-18-10(13)2/h4-5,8,10,13H,6-7H2,1-3H3
InChIKeyZWLJYXAVFHBBAG-UHFFFAOYSA-N
MW251.30 g/mol
LogP2.38
Rot. Bonds2

About 4-fluoro-N,2-dimethyl-N-(2-methyloxolan-3-yl)benzamide

4-fluoro-N,2-dimethyl-N-(2-methyloxolan-3-yl)benzamide (PubChem CID 113399934) has the molecular formula C14H18FNO2 and a molecular weight of 251.30 g/mol. Its IUPAC name is 4-fluoro-N,2-dimethyl-N-(2-methyloxolan-3-yl)benzamide.

Molecular Properties

Compound Name4-fluoro-N,2-dimethyl-N-(2-methyloxolan-3-yl)benzamide
PubChem CID113399934
Molecular FormulaC14H18FNO2
Molecular Weight251.30 g/mol
Exact Mass251.13
IUPAC Name4-fluoro-N,2-dimethyl-N-(2-methyloxolan-3-yl)benzamide
SMILESCc1cc(F)ccc1C(=O)N(C)C1CCOC1C
InChIInChI=1S/C14H18FNO2/c1-9-8-11(15)4-5-12(9)14(17)16(3)13-6-7-18-10(13)2/h4-5,8,10,13H,6-7H2,1-3H3
InChIKeyZWLJYXAVFHBBAG-UHFFFAOYSA-N
XLogP2.38
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.30
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-4-[methyl-(2-methyloxolan-3-yl)carbamoyl]benzenesulfonyl chloride
CID 82736669
5-fluoro-N-methyl-N-(2-methyloxolan-3-yl)-2-nitrobenzamide
CID 82734881
N-cyclopropyl-4-fluoro-N,2-dimethylbenzamide
CID 115745650
5-amino-2-fluoro-N-methyl-N-(2-methyloxolan-3-yl)benzamide
CID 82741761
4-fluoro-N-(2-hydroxycyclohexyl)-N,2-dimethylbenzamide
CID 102631843
N-cyclobutyl-4-fluoro-N,2-dimethylbenzamide
CID 115745905
N-cycloheptyl-4-fluoro-N,2-dimethylbenzamide
CID 113268593
5-chloro-2-hydroxy-N-methyl-N-(2-methyloxolan-3-yl)benzamide
CID 82739696
2-amino-5-bromo-N-methyl-N-(2-methyloxolan-3-yl)benzamide
CID 82742095
4-fluoro-N,2-dimethyl-N-(3-methylcyclohexyl)benzamide
CID 112702414
4-fluoro-N,N,2-trimethylbenzamide
CID 115745346
5-fluoro-2-[[methyl-(2-methyloxolan-3-yl)amino]methyl]benzoic acid
CID 82754922

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N,2-dimethyl-N-(2-methyloxolan-3-yl)benzamide?
The IUPAC name of 4-fluoro-N,2-dimethyl-N-(2-methyloxolan-3-yl)benzamide (CID 113399934) is 4-fluoro-N,2-dimethyl-N-(2-methyloxolan-3-yl)benzamide.
What is the SMILES notation for 4-fluoro-N,2-dimethyl-N-(2-methyloxolan-3-yl)benzamide?
The canonical SMILES for 4-fluoro-N,2-dimethyl-N-(2-methyloxolan-3-yl)benzamide is Cc1cc(F)ccc1C(=O)N(C)C1CCOC1C.
What is the InChIKey of 4-fluoro-N,2-dimethyl-N-(2-methyloxolan-3-yl)benzamide?
The InChIKey is ZWLJYXAVFHBBAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO2/c1-9-8-11(15)4-5-12(9)14(17)16(3)13-6-7-18-10(13)2/h4-5,8,10,13H,6-7H2,1-3H3.
What are the key properties of 4-fluoro-N,2-dimethyl-N-(2-methyloxolan-3-yl)benzamide?
4-fluoro-N,2-dimethyl-N-(2-methyloxolan-3-yl)benzamide has a molecular weight of 251.30 g/mol, XLogP of 2.38, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N,2-dimethyl-N-(2-methyloxolan-3-yl)benzamide is sourced from PubChem (CID 113399934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).