3-fluoro-N,4-dimethyl-N-(3,3,3-trifluoropropyl)benzamide

C12H13F4NO — CID 86833486

IUPAC3-fluoro-N,4-dimethyl-N-(3,3,3-trifluoropropyl)benzamide
SMILESCc1ccc(C(=O)N(C)CCC(F)(F)F)cc1F
InChIInChI=1S/C12H13F4NO/c1-8-3-4-9(7-10(8)13)11(18)17(2)6-5-12(14,15)16/h3-4,7H,5-6H2,1-2H3
InChIKeyVXYBJBZWEBJJAL-UHFFFAOYSA-N
MW263.23 g/mol
LogP3.16
Rot. Bonds3

About 3-fluoro-N,4-dimethyl-N-(3,3,3-trifluoropropyl)benzamide

3-fluoro-N,4-dimethyl-N-(3,3,3-trifluoropropyl)benzamide (PubChem CID 86833486) has the molecular formula C12H13F4NO and a molecular weight of 263.23 g/mol. Its IUPAC name is 3-fluoro-N,4-dimethyl-N-(3,3,3-trifluoropropyl)benzamide.

Molecular Properties

Compound Name3-fluoro-N,4-dimethyl-N-(3,3,3-trifluoropropyl)benzamide
PubChem CID86833486
Molecular FormulaC12H13F4NO
Molecular Weight263.23 g/mol
Exact Mass263.09
IUPAC Name3-fluoro-N,4-dimethyl-N-(3,3,3-trifluoropropyl)benzamide
SMILESCc1ccc(C(=O)N(C)CCC(F)(F)F)cc1F
InChIInChI=1S/C12H13F4NO/c1-8-3-4-9(7-10(8)13)11(18)17(2)6-5-12(14,15)16/h3-4,7H,5-6H2,1-2H3
InChIKeyVXYBJBZWEBJJAL-UHFFFAOYSA-N
XLogP3.16
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.23
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-fluoro-N-(3-hydroxybutyl)-N,4-dimethylbenzamide
CID 111695800
methyl 3-[(3-fluoro-4-methylbenzoyl)-methylamino]propanoate
CID 54979810
methyl 4-[(3-fluoro-4-methylbenzoyl)-methylamino]butanoate
CID 54943134
4-bromo-3-chloro-N-methyl-N-(3,3,3-trifluoropropyl)benzamide
CID 80976268
N-methyl-N-(3,3,3-trifluoropropyl)-2,3-dihydro-1H-isoindole-5-carboxamide
CID 103999072
ethyl 2-[(3-fluoro-4-methylbenzoyl)-methylamino]acetate
CID 55003691
N-(3-aminopropyl)-4-fluoro-N,3-dimethylbenzamide
CID 63209165
6-chloro-N-methyl-N-(3,3,3-trifluoropropyl)pyridine-3-carboxamide
CID 61381204
3-(difluoromethoxy)-N-methyl-N-(3,3,3-trifluoropropyl)benzamide
CID 86833598
3-fluoro-N,4-dimethyl-N-(4-methylphenyl)benzamide
CID 52851115
2,2,2-trifluoro-1-(3-fluoro-4-methylphenyl)ethanone
CID 2759044
N-[2-(dimethylamino)ethyl]-4-fluoro-N-methyl-3-(trifluoromethyl)benzamide
CID 63693090

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N,4-dimethyl-N-(3,3,3-trifluoropropyl)benzamide?
The IUPAC name of 3-fluoro-N,4-dimethyl-N-(3,3,3-trifluoropropyl)benzamide (CID 86833486) is 3-fluoro-N,4-dimethyl-N-(3,3,3-trifluoropropyl)benzamide.
What is the SMILES notation for 3-fluoro-N,4-dimethyl-N-(3,3,3-trifluoropropyl)benzamide?
The canonical SMILES for 3-fluoro-N,4-dimethyl-N-(3,3,3-trifluoropropyl)benzamide is Cc1ccc(C(=O)N(C)CCC(F)(F)F)cc1F.
What is the InChIKey of 3-fluoro-N,4-dimethyl-N-(3,3,3-trifluoropropyl)benzamide?
The InChIKey is VXYBJBZWEBJJAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F4NO/c1-8-3-4-9(7-10(8)13)11(18)17(2)6-5-12(14,15)16/h3-4,7H,5-6H2,1-2H3.
What are the key properties of 3-fluoro-N,4-dimethyl-N-(3,3,3-trifluoropropyl)benzamide?
3-fluoro-N,4-dimethyl-N-(3,3,3-trifluoropropyl)benzamide has a molecular weight of 263.23 g/mol, XLogP of 3.16, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N,4-dimethyl-N-(3,3,3-trifluoropropyl)benzamide is sourced from PubChem (CID 86833486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).