N-[4-fluoro-3-(2-oxopyrrolidin-1-yl)phenyl]-3-methyl-2-(3-methylbutanoylamino)butanamide

C20H28FN3O3 — CID 47056403

IUPACN-[4-fluoro-3-(2-oxopyrrolidin-1-yl)phenyl]-3-methyl-2-(3-methylbutanoylamino)butanamide
SMILESCC(C)CC(=O)NC(C(=O)Nc1ccc(F)c(N2CCCC2=O)c1)C(C)C
InChIInChI=1S/C20H28FN3O3/c1-12(2)10-17(25)23-19(13(3)4)20(27)22-14-7-8-15(21)16(11-14)24-9-5-6-18(24)26/h7-8,11-13,19H,5-6,9-10H2,1-4H3,(H,22,27)(H,23,25)
InChIKeyWREMOPNSDNTPFV-UHFFFAOYSA-N
MW377.46 g/mol
LogP3.08
Rot. Bonds7

About N-[4-fluoro-3-(2-oxopyrrolidin-1-yl)phenyl]-3-methyl-2-(3-methylbutanoylamino)butanamide

N-[4-fluoro-3-(2-oxopyrrolidin-1-yl)phenyl]-3-methyl-2-(3-methylbutanoylamino)butanamide (PubChem CID 47056403) has the molecular formula C20H28FN3O3 and a molecular weight of 377.46 g/mol. Its IUPAC name is N-[4-fluoro-3-(2-oxopyrrolidin-1-yl)phenyl]-3-methyl-2-(3-methylbutanoylamino)butanamide.

Molecular Properties

Compound NameN-[4-fluoro-3-(2-oxopyrrolidin-1-yl)phenyl]-3-methyl-2-(3-methylbutanoylamino)butanamide
PubChem CID47056403
Molecular FormulaC20H28FN3O3
Molecular Weight377.46 g/mol
Exact Mass377.21
IUPAC NameN-[4-fluoro-3-(2-oxopyrrolidin-1-yl)phenyl]-3-methyl-2-(3-methylbutanoylamino)butanamide
SMILESCC(C)CC(=O)NC(C(=O)Nc1ccc(F)c(N2CCCC2=O)c1)C(C)C
InChIInChI=1S/C20H28FN3O3/c1-12(2)10-17(25)23-19(13(3)4)20(27)22-14-7-8-15(21)16(11-14)24-9-5-6-18(24)26/h7-8,11-13,19H,5-6,9-10H2,1-4H3,(H,22,27)(H,23,25)
InChIKeyWREMOPNSDNTPFV-UHFFFAOYSA-N
XLogP3.08
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.46
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(benzylcarbamoylamino)-N-[3-fluoro-4-(2-oxopyrrolidin-1-yl)phenyl]-3-methylbutanamide
CID 86940023
1-butyl-3-[4-fluoro-3-(2-oxopyrrolidin-1-yl)phenyl]thiourea
CID 43076606
4-ethoxy-N-[1-[4-methoxy-3-(2-oxopiperidin-1-yl)anilino]-3-methyl-1-oxobutan-2-yl]benzamide
CID 55692148
N-[3-methyl-1-oxo-1-[4-(2-oxopyrrolidin-1-yl)anilino]butan-2-yl]benzamide
CID 55355341
1-[4-fluoro-3-(2-oxopyrrolidin-1-yl)phenyl]-3-(3-methoxypropyl)thiourea
CID 43076575
N-[4-fluoro-3-(2-oxopyrrolidin-1-yl)phenyl]-4-[(S)-methylsulfinyl]benzamide
CID 94105507
4-chloro-N-[3-methyl-1-oxo-1-[3-(2-oxopiperidin-1-yl)anilino]butan-2-yl]benzamide
CID 112819938
N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)-3-methyl-2-(3-methylbutanoylamino)butanamide
CID 55874596
2-amino-N-[3-fluoro-4-(2-oxopyrrolidin-1-yl)phenyl]-3-methoxypropanamide
CID 120989674
2-(2-fluorophenoxy)-N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 7687155
2-methyl-N-[3-methyl-1-oxo-1-[3-(2-oxopyrrolidin-1-yl)anilino]butan-2-yl]benzamide
CID 51213638
3-methyl-2-(3-methylbutanoylamino)-N-[3-(trifluoromethoxy)phenyl]butanamide
CID 55824930

Frequently Asked Questions

What is the IUPAC name of N-[4-fluoro-3-(2-oxopyrrolidin-1-yl)phenyl]-3-methyl-2-(3-methylbutanoylamino)butanamide?
The IUPAC name of N-[4-fluoro-3-(2-oxopyrrolidin-1-yl)phenyl]-3-methyl-2-(3-methylbutanoylamino)butanamide (CID 47056403) is N-[4-fluoro-3-(2-oxopyrrolidin-1-yl)phenyl]-3-methyl-2-(3-methylbutanoylamino)butanamide.
What is the SMILES notation for N-[4-fluoro-3-(2-oxopyrrolidin-1-yl)phenyl]-3-methyl-2-(3-methylbutanoylamino)butanamide?
The canonical SMILES for N-[4-fluoro-3-(2-oxopyrrolidin-1-yl)phenyl]-3-methyl-2-(3-methylbutanoylamino)butanamide is CC(C)CC(=O)NC(C(=O)Nc1ccc(F)c(N2CCCC2=O)c1)C(C)C.
What is the InChIKey of N-[4-fluoro-3-(2-oxopyrrolidin-1-yl)phenyl]-3-methyl-2-(3-methylbutanoylamino)butanamide?
The InChIKey is WREMOPNSDNTPFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28FN3O3/c1-12(2)10-17(25)23-19(13(3)4)20(27)22-14-7-8-15(21)16(11-14)24-9-5-6-18(24)26/h7-8,11-13,19H,5-6,9-10H2,1-4H3,(H,22,27)(H,23,25).
What are the key properties of N-[4-fluoro-3-(2-oxopyrrolidin-1-yl)phenyl]-3-methyl-2-(3-methylbutanoylamino)butanamide?
N-[4-fluoro-3-(2-oxopyrrolidin-1-yl)phenyl]-3-methyl-2-(3-methylbutanoylamino)butanamide has a molecular weight of 377.46 g/mol, XLogP of 3.08, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-fluoro-3-(2-oxopyrrolidin-1-yl)phenyl]-3-methyl-2-(3-methylbutanoylamino)butanamide is sourced from PubChem (CID 47056403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).