ethyl N-[1-[[1-(2,4-difluorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]-4-methylpentan-2-yl]carbamate

C20H27F2N3O4 — CID 55654727

IUPACethyl N-[1-[[1-(2,4-difluorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]-4-methylpentan-2-yl]carbamate
SMILESCCOC(=O)NC(CNC(=O)C1CC(=O)N(c2ccc(F)cc2F)C1)CC(C)C
InChIInChI=1S/C20H27F2N3O4/c1-4-29-20(28)24-15(7-12(2)3)10-23-19(27)13-8-18(26)25(11-13)17-6-5-14(21)9-16(17)22/h5-6,9,12-13,15H,4,7-8,10-11H2,1-3H3,(H,23,27)(H,24,28)
InChIKeyYMGDAKUISRMNOO-UHFFFAOYSA-N
MW411.45 g/mol
LogP2.59
Rot. Bonds8

About ethyl N-[1-[[1-(2,4-difluorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]-4-methylpentan-2-yl]carbamate

ethyl N-[1-[[1-(2,4-difluorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]-4-methylpentan-2-yl]carbamate (PubChem CID 55654727) has the molecular formula C20H27F2N3O4 and a molecular weight of 411.45 g/mol. Its IUPAC name is ethyl N-[1-[[1-(2,4-difluorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]-4-methylpentan-2-yl]carbamate.

Molecular Properties

Compound Nameethyl N-[1-[[1-(2,4-difluorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]-4-methylpentan-2-yl]carbamate
PubChem CID55654727
Molecular FormulaC20H27F2N3O4
Molecular Weight411.45 g/mol
Exact Mass411.20
IUPAC Nameethyl N-[1-[[1-(2,4-difluorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]-4-methylpentan-2-yl]carbamate
SMILESCCOC(=O)NC(CNC(=O)C1CC(=O)N(c2ccc(F)cc2F)C1)CC(C)C
InChIInChI=1S/C20H27F2N3O4/c1-4-29-20(28)24-15(7-12(2)3)10-23-19(27)13-8-18(26)25(11-13)17-6-5-14(21)9-16(17)22/h5-6,9,12-13,15H,4,7-8,10-11H2,1-3H3,(H,23,27)(H,24,28)
InChIKeyYMGDAKUISRMNOO-UHFFFAOYSA-N
XLogP2.59
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.45
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze ethyl N-[1-[[1-(2,4-difluorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]-4-methylpentan-2-yl]carbamate with MolForge

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Related Compounds

N-(2-aminoethyl)-1-(2,4-difluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 119383551
ethyl 4-[[1-(2,4-difluorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]benzoate
CID 46422511
ethyl 1-(2,4-difluorophenyl)-5-oxopyrrolidine-3-carboxylate
CID 50874002
(2S)-2-[[(3R)-1-(2,4-difluorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]propanoic acid
CID 124693037
N-(2-amino-2-ethylbutyl)-1-(2,4-difluorophenyl)-5-oxopyrrolidine-3-carboxamide;hydrochloride
CID 119641520
1-(2-fluoro-4-methylphenyl)-N-(3-hydroxybutyl)-5-oxopyrrolidine-3-carboxamide
CID 111429196
2-[2-[[1-(2,4-difluorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]ethylsulfanyl]acetic acid
CID 119241557
1-(2,4-difluorophenyl)-N-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 55618657
tert-butyl N-[2-[[(3S)-1-(2-fluoro-4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]ethyl]carbamate
CID 52536326
1-(2,4-difluorophenyl)-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-5-oxopyrrolidine-3-carboxamide
CID 86930176
(3S)-1-(2-fluoro-4-methylphenyl)-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide
CID 95126966
ethyl N-[(2S)-1-[(4-fluorobenzoyl)amino]-4-methylpentan-2-yl]carbamate
CID 38929597

Frequently Asked Questions

What is the IUPAC name of ethyl N-[1-[[1-(2,4-difluorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]-4-methylpentan-2-yl]carbamate?
The IUPAC name of ethyl N-[1-[[1-(2,4-difluorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]-4-methylpentan-2-yl]carbamate (CID 55654727) is ethyl N-[1-[[1-(2,4-difluorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]-4-methylpentan-2-yl]carbamate.
What is the SMILES notation for ethyl N-[1-[[1-(2,4-difluorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]-4-methylpentan-2-yl]carbamate?
The canonical SMILES for ethyl N-[1-[[1-(2,4-difluorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]-4-methylpentan-2-yl]carbamate is CCOC(=O)NC(CNC(=O)C1CC(=O)N(c2ccc(F)cc2F)C1)CC(C)C.
What is the InChIKey of ethyl N-[1-[[1-(2,4-difluorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]-4-methylpentan-2-yl]carbamate?
The InChIKey is YMGDAKUISRMNOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27F2N3O4/c1-4-29-20(28)24-15(7-12(2)3)10-23-19(27)13-8-18(26)25(11-13)17-6-5-14(21)9-16(17)22/h5-6,9,12-13,15H,4,7-8,10-11H2,1-3H3,(H,23,27)(H,24,28).
What are the key properties of ethyl N-[1-[[1-(2,4-difluorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]-4-methylpentan-2-yl]carbamate?
ethyl N-[1-[[1-(2,4-difluorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]-4-methylpentan-2-yl]carbamate has a molecular weight of 411.45 g/mol, XLogP of 2.59, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[1-[[1-(2,4-difluorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]-4-methylpentan-2-yl]carbamate is sourced from PubChem (CID 55654727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).