2,4-difluoro-N-[2-[[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]amino]-2-oxoethyl]benzamide

C22H25F2N3O3 — CID 134036254

IUPAC2,4-difluoro-N-[2-[[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]amino]-2-oxoethyl]benzamide
SMILESCOc1ccc(C(CNC(=O)CNC(=O)c2ccc(F)cc2F)N2CCCC2)cc1
InChIInChI=1S/C22H25F2N3O3/c1-30-17-7-4-15(5-8-17)20(27-10-2-3-11-27)13-25-21(28)14-26-22(29)18-9-6-16(23)12-19(18)24/h4-9,12,20H,2-3,10-11,13-14H2,1H3,(H,25,28)(H,26,29)
InChIKeySXEFHKOLXLBHFC-UHFFFAOYSA-N
MW417.46 g/mol
LogP2.66
Rot. Bonds8

About 2,4-difluoro-N-[2-[[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]amino]-2-oxoethyl]benzamide

2,4-difluoro-N-[2-[[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]amino]-2-oxoethyl]benzamide (PubChem CID 134036254) has the molecular formula C22H25F2N3O3 and a molecular weight of 417.46 g/mol. Its IUPAC name is 2,4-difluoro-N-[2-[[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]amino]-2-oxoethyl]benzamide.

Molecular Properties

Compound Name2,4-difluoro-N-[2-[[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]amino]-2-oxoethyl]benzamide
PubChem CID134036254
Molecular FormulaC22H25F2N3O3
Molecular Weight417.46 g/mol
Exact Mass417.19
IUPAC Name2,4-difluoro-N-[2-[[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]amino]-2-oxoethyl]benzamide
SMILESCOc1ccc(C(CNC(=O)CNC(=O)c2ccc(F)cc2F)N2CCCC2)cc1
InChIInChI=1S/C22H25F2N3O3/c1-30-17-7-4-15(5-8-17)20(27-10-2-3-11-27)13-25-21(28)14-26-22(29)18-9-6-16(23)12-19(18)24/h4-9,12,20H,2-3,10-11,13-14H2,1H3,(H,25,28)(H,26,29)
InChIKeySXEFHKOLXLBHFC-UHFFFAOYSA-N
XLogP2.66
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.46
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-fluoro-N-[2-[[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]amino]-2-oxoethyl]benzamide
CID 78784235
N-[2-[[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]amino]-2-oxoethyl]-2,4-difluorobenzamide
CID 55523191
2-fluoro-N-[2-[[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]amino]-2-oxoethyl]benzamide
CID 18161663
N-[2-[[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]amino]-2-oxoethyl]-2,4-difluorobenzamide
CID 46521785
2-(3-fluorophenyl)-N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]acetamide
CID 43006555
2-(4-fluorophenoxy)-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]acetamide
CID 17014584
3-fluoro-N-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]benzamide
CID 2521454
2,4-difluoro-N-[2-[[2-(furan-2-yl)-2-piperidin-1-ylethyl]amino]-2-oxoethyl]benzamide
CID 51336068
N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]propanamide
CID 47101154
2,4-dimethoxy-N-[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]benzamide
CID 9119908
N-[2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]-4-(4-methoxyphenyl)-4-oxobutanamide
CID 110623858
N-[2-[[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]amino]-2-oxoethyl]furan-2-carboxamide
CID 43006599

Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-N-[2-[[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]amino]-2-oxoethyl]benzamide?
The IUPAC name of 2,4-difluoro-N-[2-[[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]amino]-2-oxoethyl]benzamide (CID 134036254) is 2,4-difluoro-N-[2-[[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]amino]-2-oxoethyl]benzamide.
What is the SMILES notation for 2,4-difluoro-N-[2-[[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]amino]-2-oxoethyl]benzamide?
The canonical SMILES for 2,4-difluoro-N-[2-[[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]amino]-2-oxoethyl]benzamide is COc1ccc(C(CNC(=O)CNC(=O)c2ccc(F)cc2F)N2CCCC2)cc1.
What is the InChIKey of 2,4-difluoro-N-[2-[[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]amino]-2-oxoethyl]benzamide?
The InChIKey is SXEFHKOLXLBHFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25F2N3O3/c1-30-17-7-4-15(5-8-17)20(27-10-2-3-11-27)13-25-21(28)14-26-22(29)18-9-6-16(23)12-19(18)24/h4-9,12,20H,2-3,10-11,13-14H2,1H3,(H,25,28)(H,26,29).
What are the key properties of 2,4-difluoro-N-[2-[[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]amino]-2-oxoethyl]benzamide?
2,4-difluoro-N-[2-[[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]amino]-2-oxoethyl]benzamide has a molecular weight of 417.46 g/mol, XLogP of 2.66, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-N-[2-[[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]amino]-2-oxoethyl]benzamide is sourced from PubChem (CID 134036254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).