3-chloro-5-fluoro-4-hydroxy-N-[(2S)-1-(2-oxopyrrolidin-1-yl)propan-2-yl]benzamide

C14H16ClFN2O3 — CID 164637041

IUPAC3-chloro-5-fluoro-4-hydroxy-N-[(2S)-1-(2-oxopyrrolidin-1-yl)propan-2-yl]benzamide
SMILESC[C@@H](CN1CCCC1=O)NC(=O)c1cc(F)c(O)c(Cl)c1
InChIInChI=1S/C14H16ClFN2O3/c1-8(7-18-4-2-3-12(18)19)17-14(21)9-5-10(15)13(20)11(16)6-9/h5-6,8,20H,2-4,7H2,1H3,(H,17,21)/t8-/m0/s1
InChIKeyAAYUNBUNAWMORS-QMMMGPOBSA-N
MW314.74 g/mol
LogP1.93
Rot. Bonds4

About 3-chloro-5-fluoro-4-hydroxy-N-[(2S)-1-(2-oxopyrrolidin-1-yl)propan-2-yl]benzamide

3-chloro-5-fluoro-4-hydroxy-N-[(2S)-1-(2-oxopyrrolidin-1-yl)propan-2-yl]benzamide (PubChem CID 164637041) has the molecular formula C14H16ClFN2O3 and a molecular weight of 314.74 g/mol. Its IUPAC name is 3-chloro-5-fluoro-4-hydroxy-N-[(2S)-1-(2-oxopyrrolidin-1-yl)propan-2-yl]benzamide.

Molecular Properties

Compound Name3-chloro-5-fluoro-4-hydroxy-N-[(2S)-1-(2-oxopyrrolidin-1-yl)propan-2-yl]benzamide
PubChem CID164637041
Molecular FormulaC14H16ClFN2O3
Molecular Weight314.74 g/mol
Exact Mass314.08
IUPAC Name3-chloro-5-fluoro-4-hydroxy-N-[(2S)-1-(2-oxopyrrolidin-1-yl)propan-2-yl]benzamide
SMILESC[C@@H](CN1CCCC1=O)NC(=O)c1cc(F)c(O)c(Cl)c1
InChIInChI=1S/C14H16ClFN2O3/c1-8(7-18-4-2-3-12(18)19)17-14(21)9-5-10(15)13(20)11(16)6-9/h5-6,8,20H,2-4,7H2,1H3,(H,17,21)/t8-/m0/s1
InChIKeyAAYUNBUNAWMORS-QMMMGPOBSA-N
XLogP1.93
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.74
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-3-fluoro-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]benzamide
CID 62678143
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
4-(aminomethyl)-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]benzamide
CID 60928640
4-fluoro-2-methyl-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]benzamide
CID 115745779
2,4-diamino-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]benzamide
CID 61117076
N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]-2-(2,2,2-trifluoroethylamino)acetamide
CID 78957992
N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]thiophene-2-carboxamide
CID 61062526
N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]-2H-triazole-4-carboxamide
CID 112733895
3-(morpholin-4-ylmethyl)-N-[(2R)-1-(2-oxopyrrolidin-1-yl)propan-2-yl]benzamide
CID 95621032
6-oxo-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]-1H-pyridine-2-carboxamide
CID 107362990
3-chloro-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]-1-benzothiophene-2-carboxamide
CID 60535154

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-fluoro-4-hydroxy-N-[(2S)-1-(2-oxopyrrolidin-1-yl)propan-2-yl]benzamide?
The IUPAC name of 3-chloro-5-fluoro-4-hydroxy-N-[(2S)-1-(2-oxopyrrolidin-1-yl)propan-2-yl]benzamide (CID 164637041) is 3-chloro-5-fluoro-4-hydroxy-N-[(2S)-1-(2-oxopyrrolidin-1-yl)propan-2-yl]benzamide.
What is the SMILES notation for 3-chloro-5-fluoro-4-hydroxy-N-[(2S)-1-(2-oxopyrrolidin-1-yl)propan-2-yl]benzamide?
The canonical SMILES for 3-chloro-5-fluoro-4-hydroxy-N-[(2S)-1-(2-oxopyrrolidin-1-yl)propan-2-yl]benzamide is C[C@@H](CN1CCCC1=O)NC(=O)c1cc(F)c(O)c(Cl)c1.
What is the InChIKey of 3-chloro-5-fluoro-4-hydroxy-N-[(2S)-1-(2-oxopyrrolidin-1-yl)propan-2-yl]benzamide?
The InChIKey is AAYUNBUNAWMORS-QMMMGPOBSA-N. The full InChI is InChI=1S/C14H16ClFN2O3/c1-8(7-18-4-2-3-12(18)19)17-14(21)9-5-10(15)13(20)11(16)6-9/h5-6,8,20H,2-4,7H2,1H3,(H,17,21)/t8-/m0/s1.
What are the key properties of 3-chloro-5-fluoro-4-hydroxy-N-[(2S)-1-(2-oxopyrrolidin-1-yl)propan-2-yl]benzamide?
3-chloro-5-fluoro-4-hydroxy-N-[(2S)-1-(2-oxopyrrolidin-1-yl)propan-2-yl]benzamide has a molecular weight of 314.74 g/mol, XLogP of 1.93, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-fluoro-4-hydroxy-N-[(2S)-1-(2-oxopyrrolidin-1-yl)propan-2-yl]benzamide is sourced from PubChem (CID 164637041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).