5-fluoro-N-methyl-2-propan-2-ylbenzamide

C11H14FNO — CID 154975628

IUPAC5-fluoro-N-methyl-2-propan-2-ylbenzamide
SMILESCNC(=O)c1cc(F)ccc1C(C)C
InChIInChI=1S/C11H14FNO/c1-7(2)9-5-4-8(12)6-10(9)11(14)13-3/h4-7H,1-3H3,(H,13,14)
InChIKeyGJAGOCMIALIGRS-UHFFFAOYSA-N
MW195.24 g/mol
LogP2.31
Rot. Bonds2

About 5-fluoro-N-methyl-2-propan-2-ylbenzamide

5-fluoro-N-methyl-2-propan-2-ylbenzamide (PubChem CID 154975628) has the molecular formula C11H14FNO and a molecular weight of 195.24 g/mol. Its IUPAC name is 5-fluoro-N-methyl-2-propan-2-ylbenzamide.

Molecular Properties

Compound Name5-fluoro-N-methyl-2-propan-2-ylbenzamide
PubChem CID154975628
Molecular FormulaC11H14FNO
Molecular Weight195.24 g/mol
Exact Mass195.11
IUPAC Name5-fluoro-N-methyl-2-propan-2-ylbenzamide
SMILESCNC(=O)c1cc(F)ccc1C(C)C
InChIInChI=1S/C11H14FNO/c1-7(2)9-5-4-8(12)6-10(9)11(14)13-3/h4-7H,1-3H3,(H,13,14)
InChIKeyGJAGOCMIALIGRS-UHFFFAOYSA-N
XLogP2.31
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.24
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-fluoro-N,5-dimethyl-3-propan-2-ylbenzamide
CID 167606728
2,3,5-trifluoro-N-methylbenzamide
CID 58656809
4-fluoro-2-propan-2-ylbenzoic acid
CID 22101476
4-bromo-N-methyl-2-propan-2-ylbenzamide
CID 146035002
2-(1,3-dioxoisoindol-2-yl)-5-fluoro-N-methylbenzamide
CID 168517272
methyl 2-[(1S)-1-aminoethyl]-5-fluorobenzoate
CID 130699725
N-[(1R)-1-(2,4-difluorophenyl)ethyl]-2-fluorobenzamide
CID 8782133
N-[1-(2,4-difluorophenyl)ethyl]-2,4-difluorobenzamide
CID 51150419
5-fluoro-N,2,3-trimethylbenzamide
CID 148716978
3,5-difluoro-N,2-dimethylbenzamide
CID 67627187
4-[1-(2-chloro-4-fluorophenyl)ethylamino]-N-methylbenzamide
CID 43781065
2-(azidomethyl)-5-fluoro-N-methylbenzamide
CID 91620336

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-methyl-2-propan-2-ylbenzamide?
The IUPAC name of 5-fluoro-N-methyl-2-propan-2-ylbenzamide (CID 154975628) is 5-fluoro-N-methyl-2-propan-2-ylbenzamide.
What is the SMILES notation for 5-fluoro-N-methyl-2-propan-2-ylbenzamide?
The canonical SMILES for 5-fluoro-N-methyl-2-propan-2-ylbenzamide is CNC(=O)c1cc(F)ccc1C(C)C.
What is the InChIKey of 5-fluoro-N-methyl-2-propan-2-ylbenzamide?
The InChIKey is GJAGOCMIALIGRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FNO/c1-7(2)9-5-4-8(12)6-10(9)11(14)13-3/h4-7H,1-3H3,(H,13,14).
What are the key properties of 5-fluoro-N-methyl-2-propan-2-ylbenzamide?
5-fluoro-N-methyl-2-propan-2-ylbenzamide has a molecular weight of 195.24 g/mol, XLogP of 2.31, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-methyl-2-propan-2-ylbenzamide is sourced from PubChem (CID 154975628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).