4-amino-3-fluoro-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]benzamide

C14H18FN3O2 — CID 62678143

IUPAC4-amino-3-fluoro-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]benzamide
SMILESCC(CN1CCCC1=O)NC(=O)c1ccc(N)c(F)c1
InChIInChI=1S/C14H18FN3O2/c1-9(8-18-6-2-3-13(18)19)17-14(20)10-4-5-12(16)11(15)7-10/h4-5,7,9H,2-3,6,8,16H2,1H3,(H,17,20)
InChIKeyNWJOHKCMMQTQTL-UHFFFAOYSA-N
MW279.31 g/mol
LogP1.15
Rot. Bonds4

About 4-amino-3-fluoro-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]benzamide

4-amino-3-fluoro-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]benzamide (PubChem CID 62678143) has the molecular formula C14H18FN3O2 and a molecular weight of 279.31 g/mol. Its IUPAC name is 4-amino-3-fluoro-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]benzamide.

Molecular Properties

Compound Name4-amino-3-fluoro-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]benzamide
PubChem CID62678143
Molecular FormulaC14H18FN3O2
Molecular Weight279.31 g/mol
Exact Mass279.14
IUPAC Name4-amino-3-fluoro-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]benzamide
SMILESCC(CN1CCCC1=O)NC(=O)c1ccc(N)c(F)c1
InChIInChI=1S/C14H18FN3O2/c1-9(8-18-6-2-3-13(18)19)17-14(20)10-4-5-12(16)11(15)7-10/h4-5,7,9H,2-3,6,8,16H2,1H3,(H,17,20)
InChIKeyNWJOHKCMMQTQTL-UHFFFAOYSA-N
XLogP1.15
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.31
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-(aminomethyl)-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]benzamide
CID 60928640
3-chloro-5-fluoro-4-hydroxy-N-[(2S)-1-(2-oxopyrrolidin-1-yl)propan-2-yl]benzamide
CID 164637041
2,4-diamino-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]benzamide
CID 61117076
4-amino-3-fluoro-N-(4-hydroxybutan-2-yl)benzamide
CID 83176506
4-fluoro-2-methyl-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]benzamide
CID 115745779
3-(chloromethyl)-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]benzamide
CID 60934371
5-bromo-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]thiophene-3-carboxamide
CID 47267922
N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]thiophene-2-carboxamide
CID 61062526
3-(morpholin-4-ylmethyl)-N-[(2R)-1-(2-oxopyrrolidin-1-yl)propan-2-yl]benzamide
CID 95621032
2-imidazol-1-yl-N-[(2R)-1-(2-oxopyrrolidin-1-yl)propan-2-yl]pyridine-4-carboxamide
CID 94821889
4-amino-3-fluoro-N-[1-(methylamino)-1-oxopropan-2-yl]benzamide
CID 62680619
6-oxo-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]-1H-pyridine-2-carboxamide
CID 107362990

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-fluoro-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]benzamide?
The IUPAC name of 4-amino-3-fluoro-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]benzamide (CID 62678143) is 4-amino-3-fluoro-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]benzamide.
What is the SMILES notation for 4-amino-3-fluoro-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]benzamide?
The canonical SMILES for 4-amino-3-fluoro-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]benzamide is CC(CN1CCCC1=O)NC(=O)c1ccc(N)c(F)c1.
What is the InChIKey of 4-amino-3-fluoro-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]benzamide?
The InChIKey is NWJOHKCMMQTQTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN3O2/c1-9(8-18-6-2-3-13(18)19)17-14(20)10-4-5-12(16)11(15)7-10/h4-5,7,9H,2-3,6,8,16H2,1H3,(H,17,20).
What are the key properties of 4-amino-3-fluoro-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]benzamide?
4-amino-3-fluoro-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]benzamide has a molecular weight of 279.31 g/mol, XLogP of 1.15, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-fluoro-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]benzamide is sourced from PubChem (CID 62678143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).