4-methoxy-N-[[(3S)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]benzamide

C15H19F3N2O2 — CID 94815305

IUPAC4-methoxy-N-[[(3S)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]benzamide
SMILESCOc1ccc(C(=O)NC[C@@H]2CCN(CC(F)(F)F)C2)cc1
InChIInChI=1S/C15H19F3N2O2/c1-22-13-4-2-12(3-5-13)14(21)19-8-11-6-7-20(9-11)10-15(16,17)18/h2-5,11H,6-10H2,1H3,(H,19,21)/t11-/m0/s1
InChIKeyVXGYHUGFHYJIHR-NSHDSACASA-N
MW316.32 g/mol
LogP2.31
Rot. Bonds5

About 4-methoxy-N-[[(3S)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]benzamide

4-methoxy-N-[[(3S)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]benzamide (PubChem CID 94815305) has the molecular formula C15H19F3N2O2 and a molecular weight of 316.32 g/mol. Its IUPAC name is 4-methoxy-N-[[(3S)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]benzamide.

Molecular Properties

Compound Name4-methoxy-N-[[(3S)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]benzamide
PubChem CID94815305
Molecular FormulaC15H19F3N2O2
Molecular Weight316.32 g/mol
Exact Mass316.14
IUPAC Name4-methoxy-N-[[(3S)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]benzamide
SMILESCOc1ccc(C(=O)NC[C@@H]2CCN(CC(F)(F)F)C2)cc1
InChIInChI=1S/C15H19F3N2O2/c1-22-13-4-2-12(3-5-13)14(21)19-8-11-6-7-20(9-11)10-15(16,17)18/h2-5,11H,6-10H2,1H3,(H,19,21)/t11-/m0/s1
InChIKeyVXGYHUGFHYJIHR-NSHDSACASA-N
XLogP2.31
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.32
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]benzamide
CID 61245229
1-[(6-methoxynaphthalen-2-yl)methyl]-3-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]urea
CID 51117985
4-methoxy-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]benzamide
CID 16895498
N-[[1-(4-methoxyphenyl)pyrrolidin-3-yl]methyl]-4-(trifluoromethyl)benzamide
CID 110640583
4-methoxy-N-[(1-methylpiperidin-4-yl)methyl]benzamide
CID 16895310
6-(dimethylamino)-N-[[(3R)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyridine-3-carboxamide
CID 95591144
N-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]-4-(trifluoromethylsulfanyl)benzamide
CID 52785552
1-[2-(4-methoxyphenoxy)ethyl]-2-methyl-3-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]guanidine;hydroiodide
CID 111410760
4-methoxy-N-[(1-propan-2-ylpiperidin-4-yl)methyl]benzamide
CID 16895405
N-[(6-methoxynaphthalen-2-yl)methyl]-1-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methanamine
CID 119126992
N-[[1-(4-methoxyphenyl)pyrrolidin-3-yl]methyl]-4-methylbenzamide
CID 110640547
4-methoxy-N-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]methyl]benzamide
CID 16895998

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[[(3S)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]benzamide?
The IUPAC name of 4-methoxy-N-[[(3S)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]benzamide (CID 94815305) is 4-methoxy-N-[[(3S)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]benzamide.
What is the SMILES notation for 4-methoxy-N-[[(3S)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]benzamide?
The canonical SMILES for 4-methoxy-N-[[(3S)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]benzamide is COc1ccc(C(=O)NC[C@@H]2CCN(CC(F)(F)F)C2)cc1.
What is the InChIKey of 4-methoxy-N-[[(3S)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]benzamide?
The InChIKey is VXGYHUGFHYJIHR-NSHDSACASA-N. The full InChI is InChI=1S/C15H19F3N2O2/c1-22-13-4-2-12(3-5-13)14(21)19-8-11-6-7-20(9-11)10-15(16,17)18/h2-5,11H,6-10H2,1H3,(H,19,21)/t11-/m0/s1.
What are the key properties of 4-methoxy-N-[[(3S)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]benzamide?
4-methoxy-N-[[(3S)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]benzamide has a molecular weight of 316.32 g/mol, XLogP of 2.31, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[[(3S)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]benzamide is sourced from PubChem (CID 94815305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).