2-[[2-[(2S)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]acetyl]amino]-N-(4-fluorophenyl)acetamide

C22H26FN3O4 — CID 8833574

IUPAC2-[[2-[(2S)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]acetyl]amino]-N-(4-fluorophenyl)acetamide
SMILESCOc1ccc(OC)c([C@@H]2CCCN2CC(=O)NCC(=O)Nc2ccc(F)cc2)c1
InChIInChI=1S/C22H26FN3O4/c1-29-17-9-10-20(30-2)18(12-17)19-4-3-11-26(19)14-22(28)24-13-21(27)25-16-7-5-15(23)6-8-16/h5-10,12,19H,3-4,11,13-14H2,1-2H3,(H,24,28)(H,25,27)/t19-/m0/s1
InChIKeyCFMIFHIVLUIDFM-IBGZPJMESA-N
MW415.47 g/mol
LogP2.73
Rot. Bonds8

About 2-[[2-[(2S)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]acetyl]amino]-N-(4-fluorophenyl)acetamide

2-[[2-[(2S)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]acetyl]amino]-N-(4-fluorophenyl)acetamide (PubChem CID 8833574) has the molecular formula C22H26FN3O4 and a molecular weight of 415.47 g/mol. Its IUPAC name is 2-[[2-[(2S)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]acetyl]amino]-N-(4-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[[2-[(2S)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]acetyl]amino]-N-(4-fluorophenyl)acetamide
PubChem CID8833574
Molecular FormulaC22H26FN3O4
Molecular Weight415.47 g/mol
Exact Mass415.19
IUPAC Name2-[[2-[(2S)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]acetyl]amino]-N-(4-fluorophenyl)acetamide
SMILESCOc1ccc(OC)c([C@@H]2CCCN2CC(=O)NCC(=O)Nc2ccc(F)cc2)c1
InChIInChI=1S/C22H26FN3O4/c1-29-17-9-10-20(30-2)18(12-17)19-4-3-11-26(19)14-22(28)24-13-21(27)25-16-7-5-15(23)6-8-16/h5-10,12,19H,3-4,11,13-14H2,1-2H3,(H,24,28)(H,25,27)/t19-/m0/s1
InChIKeyCFMIFHIVLUIDFM-IBGZPJMESA-N
XLogP2.73
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.47
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-N-(4-fluorophenyl)acetamide
CID 8831276
2-[[2-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]acetyl]amino]-N-methylacetamide
CID 8834006
2-[(2S)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-N-(3,4-dimethylphenyl)acetamide
CID 8831486
2-[[2-[(2S)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]acetyl]amino]-N-(2,3-dimethylphenyl)acetamide
CID 8833543
4-[[2-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]acetyl]amino]-N-methylbenzamide
CID 8833892
N-(3-chloro-4-methoxyphenyl)-2-[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]acetamide
CID 46615040
N-(2-chloro-4-fluorophenyl)-2-[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]acetamide
CID 16566283
2-[(2S)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-N-prop-2-ynylacetamide
CID 8833875
2-[4-[2-[(2S)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]piperazin-1-yl]-N-(4-fluorophenyl)acetamide
CID 30623100
N-benzyl-2-[(2S)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]acetamide
CID 8831232
2-[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-N-(3-methoxypropyl)acetamide
CID 51226739
2-[[2-[(2S)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]acetyl]amino]-N-(2,4,6-trimethylphenyl)acetamide
CID 26648605

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(2S)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]acetyl]amino]-N-(4-fluorophenyl)acetamide?
The IUPAC name of 2-[[2-[(2S)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]acetyl]amino]-N-(4-fluorophenyl)acetamide (CID 8833574) is 2-[[2-[(2S)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]acetyl]amino]-N-(4-fluorophenyl)acetamide.
What is the SMILES notation for 2-[[2-[(2S)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]acetyl]amino]-N-(4-fluorophenyl)acetamide?
The canonical SMILES for 2-[[2-[(2S)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]acetyl]amino]-N-(4-fluorophenyl)acetamide is COc1ccc(OC)c([C@@H]2CCCN2CC(=O)NCC(=O)Nc2ccc(F)cc2)c1.
What is the InChIKey of 2-[[2-[(2S)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]acetyl]amino]-N-(4-fluorophenyl)acetamide?
The InChIKey is CFMIFHIVLUIDFM-IBGZPJMESA-N. The full InChI is InChI=1S/C22H26FN3O4/c1-29-17-9-10-20(30-2)18(12-17)19-4-3-11-26(19)14-22(28)24-13-21(27)25-16-7-5-15(23)6-8-16/h5-10,12,19H,3-4,11,13-14H2,1-2H3,(H,24,28)(H,25,27)/t19-/m0/s1.
What are the key properties of 2-[[2-[(2S)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]acetyl]amino]-N-(4-fluorophenyl)acetamide?
2-[[2-[(2S)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]acetyl]amino]-N-(4-fluorophenyl)acetamide has a molecular weight of 415.47 g/mol, XLogP of 2.73, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(2S)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]acetyl]amino]-N-(4-fluorophenyl)acetamide is sourced from PubChem (CID 8833574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).