3-hydroxy-4-methoxy-N-methyl-N-(2,2,2-trifluoroethyl)benzamide

C11H12F3NO3 — CID 79600380

IUPAC3-hydroxy-4-methoxy-N-methyl-N-(2,2,2-trifluoroethyl)benzamide
SMILESCOc1ccc(C(=O)N(C)CC(F)(F)F)cc1O
InChIInChI=1S/C11H12F3NO3/c1-15(6-11(12,13)14)10(17)7-3-4-9(18-2)8(16)5-7/h3-5,16H,6H2,1-2H3
InChIKeyRWMPPJXSSGEAKX-UHFFFAOYSA-N
MW263.21 g/mol
LogP2.04
Rot. Bonds3

About 3-hydroxy-4-methoxy-N-methyl-N-(2,2,2-trifluoroethyl)benzamide

3-hydroxy-4-methoxy-N-methyl-N-(2,2,2-trifluoroethyl)benzamide (PubChem CID 79600380) has the molecular formula C11H12F3NO3 and a molecular weight of 263.21 g/mol. Its IUPAC name is 3-hydroxy-4-methoxy-N-methyl-N-(2,2,2-trifluoroethyl)benzamide.

Molecular Properties

Compound Name3-hydroxy-4-methoxy-N-methyl-N-(2,2,2-trifluoroethyl)benzamide
PubChem CID79600380
Molecular FormulaC11H12F3NO3
Molecular Weight263.21 g/mol
Exact Mass263.08
IUPAC Name3-hydroxy-4-methoxy-N-methyl-N-(2,2,2-trifluoroethyl)benzamide
SMILESCOc1ccc(C(=O)N(C)CC(F)(F)F)cc1O
InChIInChI=1S/C11H12F3NO3/c1-15(6-11(12,13)14)10(17)7-3-4-9(18-2)8(16)5-7/h3-5,16H,6H2,1-2H3
InChIKeyRWMPPJXSSGEAKX-UHFFFAOYSA-N
XLogP2.04
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.21
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-hydroxy-4-methoxy-N-(3-methoxypropyl)-N-methylbenzamide
CID 79601084
3-hydroxy-N-methyl-N-(2,2,2-trifluoroethyl)benzamide
CID 60891416
3-hydroxy-4-methoxybenzoic acid
CID 12575
3-hydroxy-4-methoxy-N-methyl-N-(thiophen-3-ylmethyl)benzamide
CID 79673638
N-[(3-chlorophenyl)methyl]-3-hydroxy-4-methoxy-N-methylbenzamide
CID 79593528
3-hydroxy-4-methoxy-N-methyl-N-phenylbenzamide
CID 79725609
1-[4-methoxy-3-[[methyl(2,2,2-trifluoroethyl)amino]methyl]phenyl]ethanone
CID 60893124
4-amino-N-methyl-N-(2,2,2-trifluoroethyl)benzamide
CID 60892887
3-hydroxy-4-methoxybenzoic acid;molecular hydrogen
CID 50930804
4-amino-N-methyl-N-(2,2,2-trifluoroethyl)-3-(trifluoromethyl)benzamide
CID 62161986
4-bromo-3-chloro-N-methyl-N-(2,2,2-trifluoroethyl)benzamide
CID 80975840
4-methoxy-3-[methyl(2,2,2-trifluoroethyl)carbamoyl]benzenesulfonyl chloride
CID 65369997

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-4-methoxy-N-methyl-N-(2,2,2-trifluoroethyl)benzamide?
The IUPAC name of 3-hydroxy-4-methoxy-N-methyl-N-(2,2,2-trifluoroethyl)benzamide (CID 79600380) is 3-hydroxy-4-methoxy-N-methyl-N-(2,2,2-trifluoroethyl)benzamide.
What is the SMILES notation for 3-hydroxy-4-methoxy-N-methyl-N-(2,2,2-trifluoroethyl)benzamide?
The canonical SMILES for 3-hydroxy-4-methoxy-N-methyl-N-(2,2,2-trifluoroethyl)benzamide is COc1ccc(C(=O)N(C)CC(F)(F)F)cc1O.
What is the InChIKey of 3-hydroxy-4-methoxy-N-methyl-N-(2,2,2-trifluoroethyl)benzamide?
The InChIKey is RWMPPJXSSGEAKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3NO3/c1-15(6-11(12,13)14)10(17)7-3-4-9(18-2)8(16)5-7/h3-5,16H,6H2,1-2H3.
What are the key properties of 3-hydroxy-4-methoxy-N-methyl-N-(2,2,2-trifluoroethyl)benzamide?
3-hydroxy-4-methoxy-N-methyl-N-(2,2,2-trifluoroethyl)benzamide has a molecular weight of 263.21 g/mol, XLogP of 2.04, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-4-methoxy-N-methyl-N-(2,2,2-trifluoroethyl)benzamide is sourced from PubChem (CID 79600380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).