5-formyl-2-methoxy-N,N-dimethyl-3-(trifluoromethyl)benzamide

C12H12F3NO3 — CID 123371531

IUPAC5-formyl-2-methoxy-N,N-dimethyl-3-(trifluoromethyl)benzamide
SMILESCOc1c(C(=O)N(C)C)cc(C=O)cc1C(F)(F)F
InChIInChI=1S/C12H12F3NO3/c1-16(2)11(18)8-4-7(6-17)5-9(10(8)19-3)12(13,14)15/h4-6H,1-3H3
InChIKeyQIPFITCVTLZKKM-UHFFFAOYSA-N
MW275.23 g/mol
LogP2.23
Rot. Bonds3

About 5-formyl-2-methoxy-N,N-dimethyl-3-(trifluoromethyl)benzamide

5-formyl-2-methoxy-N,N-dimethyl-3-(trifluoromethyl)benzamide (PubChem CID 123371531) has the molecular formula C12H12F3NO3 and a molecular weight of 275.23 g/mol. Its IUPAC name is 5-formyl-2-methoxy-N,N-dimethyl-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name5-formyl-2-methoxy-N,N-dimethyl-3-(trifluoromethyl)benzamide
PubChem CID123371531
Molecular FormulaC12H12F3NO3
Molecular Weight275.23 g/mol
Exact Mass275.08
IUPAC Name5-formyl-2-methoxy-N,N-dimethyl-3-(trifluoromethyl)benzamide
SMILESCOc1c(C(=O)N(C)C)cc(C=O)cc1C(F)(F)F
InChIInChI=1S/C12H12F3NO3/c1-16(2)11(18)8-4-7(6-17)5-9(10(8)19-3)12(13,14)15/h4-6H,1-3H3
InChIKeyQIPFITCVTLZKKM-UHFFFAOYSA-N
XLogP2.23
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.23
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

3-acetyl-4,5-bis(trifluoromethyl)benzaldehyde
CID 118837666
1-[2,5-dimethoxy-3-(trifluoromethyl)phenyl]ethanone
CID 84706488
5-formyl-2-methoxy-1-N,3-N-dimethylbenzene-1,3-dicarboxamide
CID 125494637
3-[4-formyl-2-(trifluoromethyl)phenoxy]-N,N-dimethylpropanamide
CID 63320392
3,5-dibromo-2-methoxy-N,N-dimethylbenzamide
CID 50850191
3-fluoro-4-propan-2-yloxy-5-(trifluoromethyl)benzaldehyde
CID 163198159
2-[5-chloro-2-methoxy-3-(trifluoromethyl)phenyl]-2-oxoacetic acid
CID 117454085
ethyl (E)-3-[4-methoxy-3-methyl-5-(trifluoromethyl)phenyl]prop-2-enoate
CID 90442045
1-[4-methoxy-3-methyl-5-(trifluoromethyl)phenyl]ethanone
CID 170996803
methoxymethane;6-methyl-5-(trifluoromethyl)pyridine-3-carbaldehyde
CID 142549771
3-acetyl-5-chloro-4-methoxybenzaldehyde
CID 171002136
3-(2-bromoacetyl)-4-iodo-5-(trifluoromethyl)benzaldehyde
CID 171022226

Frequently Asked Questions

What is the IUPAC name of 5-formyl-2-methoxy-N,N-dimethyl-3-(trifluoromethyl)benzamide?
The IUPAC name of 5-formyl-2-methoxy-N,N-dimethyl-3-(trifluoromethyl)benzamide (CID 123371531) is 5-formyl-2-methoxy-N,N-dimethyl-3-(trifluoromethyl)benzamide.
What is the SMILES notation for 5-formyl-2-methoxy-N,N-dimethyl-3-(trifluoromethyl)benzamide?
The canonical SMILES for 5-formyl-2-methoxy-N,N-dimethyl-3-(trifluoromethyl)benzamide is COc1c(C(=O)N(C)C)cc(C=O)cc1C(F)(F)F.
What is the InChIKey of 5-formyl-2-methoxy-N,N-dimethyl-3-(trifluoromethyl)benzamide?
The InChIKey is QIPFITCVTLZKKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F3NO3/c1-16(2)11(18)8-4-7(6-17)5-9(10(8)19-3)12(13,14)15/h4-6H,1-3H3.
What are the key properties of 5-formyl-2-methoxy-N,N-dimethyl-3-(trifluoromethyl)benzamide?
5-formyl-2-methoxy-N,N-dimethyl-3-(trifluoromethyl)benzamide has a molecular weight of 275.23 g/mol, XLogP of 2.23, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-formyl-2-methoxy-N,N-dimethyl-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 123371531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).