N-[(4-fluorophenyl)methyl]-2-(1,3,3-trimethyl-2-oxoindol-5-yl)acetamide

C20H21FN2O2 — CID 110771024

IUPACN-[(4-fluorophenyl)methyl]-2-(1,3,3-trimethyl-2-oxoindol-5-yl)acetamide
SMILESCN1C(=O)C(C)(C)c2cc(CC(=O)NCc3ccc(F)cc3)ccc21
InChIInChI=1S/C20H21FN2O2/c1-20(2)16-10-14(6-9-17(16)23(3)19(20)25)11-18(24)22-12-13-4-7-15(21)8-5-13/h4-10H,11-12H2,1-3H3,(H,22,24)
InChIKeyNMWJHBUPCVVFAB-UHFFFAOYSA-N
MW340.40 g/mol
LogP2.94
Rot. Bonds4

About N-[(4-fluorophenyl)methyl]-2-(1,3,3-trimethyl-2-oxoindol-5-yl)acetamide

N-[(4-fluorophenyl)methyl]-2-(1,3,3-trimethyl-2-oxoindol-5-yl)acetamide (PubChem CID 110771024) has the molecular formula C20H21FN2O2 and a molecular weight of 340.40 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-2-(1,3,3-trimethyl-2-oxoindol-5-yl)acetamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-2-(1,3,3-trimethyl-2-oxoindol-5-yl)acetamide
PubChem CID110771024
Molecular FormulaC20H21FN2O2
Molecular Weight340.40 g/mol
Exact Mass340.16
IUPAC NameN-[(4-fluorophenyl)methyl]-2-(1,3,3-trimethyl-2-oxoindol-5-yl)acetamide
SMILESCN1C(=O)C(C)(C)c2cc(CC(=O)NCc3ccc(F)cc3)ccc21
InChIInChI=1S/C20H21FN2O2/c1-20(2)16-10-14(6-9-17(16)23(3)19(20)25)11-18(24)22-12-13-4-7-15(21)8-5-13/h4-10H,11-12H2,1-3H3,(H,22,24)
InChIKeyNMWJHBUPCVVFAB-UHFFFAOYSA-N
XLogP2.94
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.40
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-fluorophenyl)methyl]-2-[methyl-(1,3,3-trimethyl-2-oxoindol-5-yl)sulfonylamino]acetamide
CID 22518709
N-(3-methoxypropyl)-2-(1,3,3-trimethyl-2-oxoindol-5-yl)acetamide
CID 110771006
2-(3-fluorophenyl)-N-(1,3,3-trimethyl-2-oxoindol-5-yl)acetamide
CID 110713676
3-thiophen-2-yl-N-[(1,3,3-trimethyl-2-oxoindol-5-yl)methyl]propanamide
CID 110784091
2-thiophen-2-yl-N-[2-(1,3,3-trimethyl-2-oxoindol-5-yl)ethyl]acetamide
CID 110790343
(3S)-N-[(4-fluorophenyl)methyl]-1-(1,3,3-trimethyl-2-oxoindol-5-yl)sulfonylpiperidine-3-carboxamide
CID 92505582
N-[2-(1,3,3-trimethyl-2-oxoindol-5-yl)ethyl]pentanamide
CID 110790328
5-(3-hydroxypropyl)-1,3,3-trimethylindol-2-one
CID 82475607
N-[2-(1,3,3-trimethyl-2-oxoindol-5-yl)ethyl]cyclopropanecarboxamide
CID 110790327
N-[(4-fluorophenyl)methyl]-2-(5-methyl-1H-pyrrol-3-yl)acetamide
CID 112528395
2-(4-fluorophenyl)-N-[(1-methylpyrrol-3-yl)methyl]acetamide
CID 110782492
N-[(4-fluorophenyl)methyl]-2-(1-methylindol-3-yl)acetamide
CID 3632445

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-2-(1,3,3-trimethyl-2-oxoindol-5-yl)acetamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-2-(1,3,3-trimethyl-2-oxoindol-5-yl)acetamide (CID 110771024) is N-[(4-fluorophenyl)methyl]-2-(1,3,3-trimethyl-2-oxoindol-5-yl)acetamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-2-(1,3,3-trimethyl-2-oxoindol-5-yl)acetamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-2-(1,3,3-trimethyl-2-oxoindol-5-yl)acetamide is CN1C(=O)C(C)(C)c2cc(CC(=O)NCc3ccc(F)cc3)ccc21.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-2-(1,3,3-trimethyl-2-oxoindol-5-yl)acetamide?
The InChIKey is NMWJHBUPCVVFAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN2O2/c1-20(2)16-10-14(6-9-17(16)23(3)19(20)25)11-18(24)22-12-13-4-7-15(21)8-5-13/h4-10H,11-12H2,1-3H3,(H,22,24).
What are the key properties of N-[(4-fluorophenyl)methyl]-2-(1,3,3-trimethyl-2-oxoindol-5-yl)acetamide?
N-[(4-fluorophenyl)methyl]-2-(1,3,3-trimethyl-2-oxoindol-5-yl)acetamide has a molecular weight of 340.40 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-2-(1,3,3-trimethyl-2-oxoindol-5-yl)acetamide is sourced from PubChem (CID 110771024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).