N-[2-[[(3R)-1-[(2,4-difluorophenyl)methyl]pyrrolidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide

C21H20F5N3O2 — CID 508743

IUPACN-[2-[[(3R)-1-[(2,4-difluorophenyl)methyl]pyrrolidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide
SMILESO=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CCN(Cc2ccc(F)cc2F)C1
InChIInChI=1S/C21H20F5N3O2/c22-16-5-4-14(18(23)9-16)11-29-7-6-17(12-29)28-19(30)10-27-20(31)13-2-1-3-15(8-13)21(24,25)26/h1-5,8-9,17H,6-7,10-12H2,(H,27,31)(H,28,30)/t17-/m1/s1
InChIKeyQGVCBIFHFPAMGR-QGZVFWFLSA-N
MW441.40 g/mol
LogP3.10
Rot. Bonds6

About N-[2-[[(3R)-1-[(2,4-difluorophenyl)methyl]pyrrolidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide

N-[2-[[(3R)-1-[(2,4-difluorophenyl)methyl]pyrrolidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide (PubChem CID 508743) has the molecular formula C21H20F5N3O2 and a molecular weight of 441.40 g/mol. Its IUPAC name is N-[2-[[(3R)-1-[(2,4-difluorophenyl)methyl]pyrrolidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[2-[[(3R)-1-[(2,4-difluorophenyl)methyl]pyrrolidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide
PubChem CID508743
Molecular FormulaC21H20F5N3O2
Molecular Weight441.40 g/mol
Exact Mass441.15
IUPAC NameN-[2-[[(3R)-1-[(2,4-difluorophenyl)methyl]pyrrolidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide
SMILESO=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CCN(Cc2ccc(F)cc2F)C1
InChIInChI=1S/C21H20F5N3O2/c22-16-5-4-14(18(23)9-16)11-29-7-6-17(12-29)28-19(30)10-27-20(31)13-2-1-3-15(8-13)21(24,25)26/h1-5,8-9,17H,6-7,10-12H2,(H,27,31)(H,28,30)/t17-/m1/s1
InChIKeyQGVCBIFHFPAMGR-QGZVFWFLSA-N
XLogP3.10
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.40
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[2-[[(3R)-1-[(2,4-difluorophenyl)methyl]pyrrolidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-[[(3R)-1-[(2,4-difluorophenyl)methyl]pyrrolidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide?
The IUPAC name of N-[2-[[(3R)-1-[(2,4-difluorophenyl)methyl]pyrrolidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide (CID 508743) is N-[2-[[(3R)-1-[(2,4-difluorophenyl)methyl]pyrrolidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[2-[[(3R)-1-[(2,4-difluorophenyl)methyl]pyrrolidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-[2-[[(3R)-1-[(2,4-difluorophenyl)methyl]pyrrolidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide is O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CCN(Cc2ccc(F)cc2F)C1.
What is the InChIKey of N-[2-[[(3R)-1-[(2,4-difluorophenyl)methyl]pyrrolidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide?
The InChIKey is QGVCBIFHFPAMGR-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H20F5N3O2/c22-16-5-4-14(18(23)9-16)11-29-7-6-17(12-29)28-19(30)10-27-20(31)13-2-1-3-15(8-13)21(24,25)26/h1-5,8-9,17H,6-7,10-12H2,(H,27,31)(H,28,30)/t17-/m1/s1.
What are the key properties of N-[2-[[(3R)-1-[(2,4-difluorophenyl)methyl]pyrrolidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide?
N-[2-[[(3R)-1-[(2,4-difluorophenyl)methyl]pyrrolidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide has a molecular weight of 441.40 g/mol, XLogP of 3.10, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[(3R)-1-[(2,4-difluorophenyl)methyl]pyrrolidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 508743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).