1-(2-benzhydryloxyacetyl)-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide

C22H23F3N2O3 — CID 55669330

IUPAC1-(2-benzhydryloxyacetyl)-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide
SMILESO=C(NCC(F)(F)F)C1CCCN1C(=O)COC(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H23F3N2O3/c23-22(24,25)15-26-21(29)18-12-7-13-27(18)19(28)14-30-20(16-8-3-1-4-9-16)17-10-5-2-6-11-17/h1-6,8-11,18,20H,7,12-15H2,(H,26,29)
InChIKeyYMJLKLJRBMTPKC-UHFFFAOYSA-N
MW420.43 g/mol
LogP3.46
Rot. Bonds7

About 1-(2-benzhydryloxyacetyl)-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide

1-(2-benzhydryloxyacetyl)-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide (PubChem CID 55669330) has the molecular formula C22H23F3N2O3 and a molecular weight of 420.43 g/mol. Its IUPAC name is 1-(2-benzhydryloxyacetyl)-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-(2-benzhydryloxyacetyl)-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide
PubChem CID55669330
Molecular FormulaC22H23F3N2O3
Molecular Weight420.43 g/mol
Exact Mass420.17
IUPAC Name1-(2-benzhydryloxyacetyl)-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide
SMILESO=C(NCC(F)(F)F)C1CCCN1C(=O)COC(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H23F3N2O3/c23-22(24,25)15-26-21(29)18-12-7-13-27(18)19(28)14-30-20(16-8-3-1-4-9-16)17-10-5-2-6-11-17/h1-6,8-11,18,20H,7,12-15H2,(H,26,29)
InChIKeyYMJLKLJRBMTPKC-UHFFFAOYSA-N
XLogP3.46
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.43
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-phenoxybutanoyl)-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide
CID 55600518
1-[2-(2-ethylphenoxy)acetyl]-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide
CID 55669359
2-(2,2,2-trifluoroethylcarbamoyl)pyrrolidine-1-carboxylic acid
CID 123428236
(2S)-1-[(1S)-2,3-dihydro-1H-indene-1-carbonyl]-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide
CID 95299874
1-(2-methylpropanoyl)-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide
CID 156794409
1-[2-(1,2-benzoxazol-3-yl)acetyl]-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide
CID 55600515
1-[3-(2-methoxyphenyl)prop-2-enoyl]-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide
CID 55670614
1-(3-pyridin-2-ylbenzoyl)-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide
CID 134798830
1-(2-benzhydryloxyacetyl)-N-propylpiperidine-3-carboxamide
CID 49403155
1-N-[4-(2-methoxyphenoxy)phenyl]-2-N-(2,2,2-trifluoroethyl)pyrrolidine-1,2-dicarboxamide
CID 56555228
(2R)-N-benzyl-1-(2-phenoxyacetyl)piperidine-2-carboxamide
CID 118738129
N-benzyl-1-(3-methylbutanoyl)pyrrolidine-2-carboxamide
CID 170418185

Frequently Asked Questions

What is the IUPAC name of 1-(2-benzhydryloxyacetyl)-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide?
The IUPAC name of 1-(2-benzhydryloxyacetyl)-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide (CID 55669330) is 1-(2-benzhydryloxyacetyl)-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-(2-benzhydryloxyacetyl)-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide?
The canonical SMILES for 1-(2-benzhydryloxyacetyl)-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide is O=C(NCC(F)(F)F)C1CCCN1C(=O)COC(c1ccccc1)c1ccccc1.
What is the InChIKey of 1-(2-benzhydryloxyacetyl)-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide?
The InChIKey is YMJLKLJRBMTPKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23F3N2O3/c23-22(24,25)15-26-21(29)18-12-7-13-27(18)19(28)14-30-20(16-8-3-1-4-9-16)17-10-5-2-6-11-17/h1-6,8-11,18,20H,7,12-15H2,(H,26,29).
What are the key properties of 1-(2-benzhydryloxyacetyl)-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide?
1-(2-benzhydryloxyacetyl)-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide has a molecular weight of 420.43 g/mol, XLogP of 3.46, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-benzhydryloxyacetyl)-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 55669330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).