N-[4-[[(3R)-2,5-dioxopyrrolidin-3-yl]methyl]phenyl]-3-fluoro-4-methylbenzamide

C19H17FN2O3 — CID 96507817

IUPACN-[4-[[(3R)-2,5-dioxopyrrolidin-3-yl]methyl]phenyl]-3-fluoro-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2ccc(C[C@@H]3CC(=O)NC3=O)cc2)cc1F
InChIInChI=1S/C19H17FN2O3/c1-11-2-5-13(9-16(11)20)18(24)21-15-6-3-12(4-7-15)8-14-10-17(23)22-19(14)25/h2-7,9,14H,8,10H2,1H3,(H,21,24)(H,22,23,25)/t14-/m1/s1
InChIKeyVTSWZFWASIIPLV-CQSZACIVSA-N
MW340.35 g/mol
LogP2.59
Rot. Bonds4

About N-[4-[[(3R)-2,5-dioxopyrrolidin-3-yl]methyl]phenyl]-3-fluoro-4-methylbenzamide

N-[4-[[(3R)-2,5-dioxopyrrolidin-3-yl]methyl]phenyl]-3-fluoro-4-methylbenzamide (PubChem CID 96507817) has the molecular formula C19H17FN2O3 and a molecular weight of 340.35 g/mol. Its IUPAC name is N-[4-[[(3R)-2,5-dioxopyrrolidin-3-yl]methyl]phenyl]-3-fluoro-4-methylbenzamide.

Molecular Properties

Compound NameN-[4-[[(3R)-2,5-dioxopyrrolidin-3-yl]methyl]phenyl]-3-fluoro-4-methylbenzamide
PubChem CID96507817
Molecular FormulaC19H17FN2O3
Molecular Weight340.35 g/mol
Exact Mass340.12
IUPAC NameN-[4-[[(3R)-2,5-dioxopyrrolidin-3-yl]methyl]phenyl]-3-fluoro-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2ccc(C[C@@H]3CC(=O)NC3=O)cc2)cc1F
InChIInChI=1S/C19H17FN2O3/c1-11-2-5-13(9-16(11)20)18(24)21-15-6-3-12(4-7-15)8-14-10-17(23)22-19(14)25/h2-7,9,14H,8,10H2,1H3,(H,21,24)(H,22,23,25)/t14-/m1/s1
InChIKeyVTSWZFWASIIPLV-CQSZACIVSA-N
XLogP2.59
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.35
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[4-[[(3R)-2,5-dioxopyrrolidin-3-yl]methyl]phenyl]-3-fluoro-4-methylbenzamide?
The IUPAC name of N-[4-[[(3R)-2,5-dioxopyrrolidin-3-yl]methyl]phenyl]-3-fluoro-4-methylbenzamide (CID 96507817) is N-[4-[[(3R)-2,5-dioxopyrrolidin-3-yl]methyl]phenyl]-3-fluoro-4-methylbenzamide.
What is the SMILES notation for N-[4-[[(3R)-2,5-dioxopyrrolidin-3-yl]methyl]phenyl]-3-fluoro-4-methylbenzamide?
The canonical SMILES for N-[4-[[(3R)-2,5-dioxopyrrolidin-3-yl]methyl]phenyl]-3-fluoro-4-methylbenzamide is Cc1ccc(C(=O)Nc2ccc(C[C@@H]3CC(=O)NC3=O)cc2)cc1F.
What is the InChIKey of N-[4-[[(3R)-2,5-dioxopyrrolidin-3-yl]methyl]phenyl]-3-fluoro-4-methylbenzamide?
The InChIKey is VTSWZFWASIIPLV-CQSZACIVSA-N. The full InChI is InChI=1S/C19H17FN2O3/c1-11-2-5-13(9-16(11)20)18(24)21-15-6-3-12(4-7-15)8-14-10-17(23)22-19(14)25/h2-7,9,14H,8,10H2,1H3,(H,21,24)(H,22,23,25)/t14-/m1/s1.
What are the key properties of N-[4-[[(3R)-2,5-dioxopyrrolidin-3-yl]methyl]phenyl]-3-fluoro-4-methylbenzamide?
N-[4-[[(3R)-2,5-dioxopyrrolidin-3-yl]methyl]phenyl]-3-fluoro-4-methylbenzamide has a molecular weight of 340.35 g/mol, XLogP of 2.59, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[(3R)-2,5-dioxopyrrolidin-3-yl]methyl]phenyl]-3-fluoro-4-methylbenzamide is sourced from PubChem (CID 96507817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).